1-Cyclopropyl-6-Fluoro-8...
C24H34FN6O9+
1-Cyclopropyl-6-Fluoro-8...
C24H34FN6O9+
Molecular Mass 560.489 g·mol−1 Heat of Formation 2104.1 ± 16.7 kJ·mol−1 Dipole Moment 8.17 ± 1.08 D Volume 520.67 Å 3 2-Amino-3-(1-{[7-Methyl-...
C23H14N7O8
2-Amino-3-(1-{[7-Methyl-...
C23H14N7O8
Molecular Mass 529.503 g·mol−1 Heat of Formation 1543.6 ± 16.7 kJ·mol−1 Dipole Moment 4.16 ± 1.08 D Volume 519.4 Å 3 Methenamide
CHNO
Methenamide
CHNO
Molecular Mass 43.025 g·mol−1 Heat of Formation -97.9 ± 16.7 kJ·mol−1 Dipole Moment 2.52 ± 1.08 D Volume 51.62 Å 3 4-Amino-1-[2-Deoxy-2-(fl...
C10H5FN3O4
4-Amino-1-[2-Deoxy-2-(fl...
C10H5FN3O4
Molecular Mass 259.234 g·mol−1 Heat of Formation -823.1 ± 16.7 kJ·mol−1 Dipole Moment 4.86 ± 1.08 D Volume 282.63 Å 3 3-(2-Deoxy-5-O-Phosphono...
C18H18N6O9P
3-(2-Deoxy-5-O-Phosphono...
C18H18N6O9P
Molecular Mass 499.392 g·mol−1 Heat of Formation 1073.5 ± 16.7 kJ·mol−1 Dipole Moment 3.14 ± 1.08 D Volume 490.48 Å 3 Methyl 2-({[(5-{5-[(e)-2...
C21H19BrN3O9P
Methyl 2-({[(5-{5-[(e)-2...
C21H19BrN3O9P
Molecular Mass 574.316 g·mol−1 Heat of Formation 1050.8 ± 16.7 kJ·mol−1 Dipole Moment 7.49 ± 1.08 D Volume 562.72 Å 3 4-Amino-1-{2-Deoxy-5-O-[...
C10H12N3O5PS
4-Amino-1-{2-Deoxy-5-O-[...
C10H12N3O5PS
Molecular Mass 316.250 g·mol−1 Heat of Formation 451.7 ± 16.7 kJ·mol−1 Dipole Moment 6.33 ± 1.08 D Volume 302.1 Å 3 Cobaltic;[5-(5,6-Dimethy...
C62H40CoN13O14P
Cobaltic;[5-(5,6-Dimethy...
C62H40CoN13O14P
Molecular Mass 1330.356 g·mol−1 Heat of Formation 5792.9 ± 16.7 kJ·mol−1 Dipole Moment 12.05 ± 1.08 D Volume 1176.17 Å 3 2,6-Dioxo-2,3,6,7-Tetrah...
C16H12N6O4
2,6-Dioxo-2,3,6,7-Tetrah...
C16H12N6O4
Molecular Mass 354.320 g·mol−1 Heat of Formation 1915.6 ± 16.7 kJ·mol−1 Dipole Moment 21.33 ± 1.08 D Volume 358.18 Å 3 5-Fluoro-2,4-Dioxo-1-{[1...
C12H10FN5O6
5-Fluoro-2,4-Dioxo-1-{[1...
C12H10FN5O6
Molecular Mass 343.268 g·mol−1 Heat of Formation -964.9 ± 16.7 kJ·mol−1 Dipole Moment 4.43 ± 1.08 D Volume 353.24 Å 3 4-Amino-5-Chloro-1-(2-Ch...
C9H5Cl2N3O4
4-Amino-5-Chloro-1-(2-Ch...
C9H5Cl2N3O4
Molecular Mass 296.107 g·mol−1 Heat of Formation 142.1 ± 16.7 kJ·mol−1 Dipole Moment 1.55 ± 1.08 D Volume 277.33 Å 3 Netazepide
C24H15N6O3
Netazepide
C24H15N6O3
Molecular Mass 498.576 g·mol−1 Heat of Formation -109.5 ± 16.7 kJ·mol−1 Dipole Moment 4.28 ± 1.08 D Volume 590.75 Å 3 Zm447439
C23H29N5O4
Zm447439
C23H29N5O4
Molecular Mass 513.588 g·mol−1 Heat of Formation -194.3 ± 16.7 kJ·mol−1 Dipole Moment 7.28 ± 1.08 D Volume 608.51 Å 3 [(e)-N'-(2-Cyanoethynyl)...
C68H65Cu4N32O14S2++++
[(e)-N'-(2-Cyanoethynyl)...
C68H65Cu4N32O14S2++++
Molecular Mass 1864.700 g·mol−1 Heat of Formation 5157.0 ± 16.7 kJ·mol−1 Dipole Moment 4.38 ± 1.08 D Volume 1865.06 Å 3 Ethyl 3-({(4-Chlorobenzy...
C20H10ClN3O4S
Ethyl 3-({(4-Chlorobenzy...
C20H10ClN3O4S
Molecular Mass 437.940 g·mol−1 Heat of Formation 3560.7 ± 16.7 kJ·mol−1 Dipole Moment 3.33 ± 1.08 D Volume 472.21 Å 3 [[[[5-(6-Aminopurin-9-Yl...
C20H21N7O20P4
[[[[5-(6-Aminopurin-9-Yl...
C20H21N7O20P4
Molecular Mass 807.342 g·mol−1 Heat of Formation -1387.7 ± 16.7 kJ·mol−1 Dipole Moment 3.20 ± 1.08 D Volume 735.82 Å 3 4-[(4-Aminobenzoyl)amino...
C19H33N5O8
4-[(4-Aminobenzoyl)amino...
C19H33N5O8
Molecular Mass 533.574 g·mol−1 Heat of Formation 2523.7 ± 16.7 kJ·mol−1 Dipole Moment 11.67 ± 1.08 D Volume 539.78 Å 3 1-(7-Bromo-8-Methyl-2,4-...
C16H10BrN4O9P
1-(7-Bromo-8-Methyl-2,4-...
C16H10BrN4O9P
Molecular Mass 521.213 g·mol−1 Heat of Formation 623.7 ± 16.7 kJ·mol−1 Dipole Moment 4.85 ± 1.08 D Volume 459.25 Å 3 5-Amino-6-Methyl-2-Benzi...
C8H7N3O
5-Amino-6-Methyl-2-Benzi...
C8H7N3O
Molecular Mass 161.161 g·mol−1 Heat of Formation 208.0 ± 16.7 kJ·mol−1 Dipole Moment 10.74 ± 1.08 D Volume 185.1 Å 3 [(2s,3r,7s,12s,13s,17s,1...
C62H55CoN13O14P
[(2s,3r,7s,12s,13s,17s,1...
C62H55CoN13O14P
Molecular Mass 1332.372 g·mol−1 Heat of Formation 8204.0 ± 16.7 kJ·mol−1 Dipole Moment 5.49 ± 1.08 D Volume 1333.92 Å 3 10-[(2s,3s,4r)-5-{[(r)-{...
C27H34N9O15P2+
10-[(2s,3s,4r)-5-{[(r)-{...
C27H34N9O15P2+
Molecular Mass 787.566 g·mol−1 Heat of Formation 907.3 ± 16.7 kJ·mol−1 Dipole Moment 19.70 ± 1.08 D Volume 750.55 Å 3 [(2r,3r,4r,5r)-5-(6-Amin...
C27H34N9O15P2+
[(2r,3r,4r,5r)-5-(6-Amin...
C27H34N9O15P2+
Molecular Mass 786.558 g·mol−1 Heat of Formation 666.8 ± 16.7 kJ·mol−1 Dipole Moment 25.29 ± 1.08 D Volume 685.36 Å 3 2-[(dichloromethoxy)meth...
C11H6Cl2N2O5
2-[(dichloromethoxy)meth...
C11H6Cl2N2O5
Molecular Mass 323.129 g·mol−1 Heat of Formation 951.1 ± 16.7 kJ·mol−1 Dipole Moment 3.52 ± 1.08 D Volume 300.6 Å 3 (2r)-1-(5-Chloro-2,4-Dih...
C22H27ClF2N2O3
(2r)-1-(5-Chloro-2,4-Dih...
C22H27ClF2N2O3
Molecular Mass 437.887 g·mol−1 Heat of Formation 2003.0 ± 16.7 kJ·mol−1 Dipole Moment 6.08 ± 1.08 D Volume 425.49 Å 3 8-(4-Oxo-3,3-Diphenylhex...
C30H38N3O2
8-(4-Oxo-3,3-Diphenylhex...
C30H38N3O2
Molecular Mass 481.629 g·mol−1 Heat of Formation -29.7 ± 16.7 kJ·mol−1 Dipole Moment 4.16 ± 1.08 D Volume 595.5 Å 3 4-Aminopyrazolo[3,4-D]py...
C5H5N5O
4-Aminopyrazolo[3,4-D]py...
C5H5N5O
Molecular Mass 152.134 g·mol−1 Heat of Formation 225.8 ± 16.7 kJ·mol−1 Dipole Moment 11.27 ± 1.08 D Volume 158.75 Å 3 1-(2-Hydroxyethyl)-8-{[5...
C24H27F3N8O3
1-(2-Hydroxyethyl)-8-{[5...
C24H27F3N8O3
Molecular Mass 532.518 g·mol−1 Heat of Formation -761.9 ± 16.7 kJ·mol−1 Dipole Moment 4.26 ± 1.08 D Volume 583.25 Å 3 N-[(2-Methyl-2-Propanyl)...
C36H24F2N7O8S+
N-[(2-Methyl-2-Propanyl)...
C36H24F2N7O8S+
Molecular Mass 751.672 g·mol−1 Heat of Formation 4790.3 ± 16.7 kJ·mol−1 Dipole Moment 6.42 ± 1.08 D Volume 784.79 Å 3 Benzimidazolone
C7H4N2O
Benzimidazolone
C7H4N2O
Molecular Mass 132.119 g·mol−1 Heat of Formation 272.0 ± 16.7 kJ·mol−1 Dipole Moment 6.37 ± 1.08 D Volume 146.86 Å 3 Cyanurodiamide
C3H5N5O
Cyanurodiamide
C3H5N5O
Molecular Mass 127.105 g·mol−1 Heat of Formation 5.9 ± 16.7 kJ·mol−1 Dipole Moment 9.54 ± 1.08 D Volume 135.37 Å 3 1-(6-Amino-7,8-Dimethyl-...
C17H22N5O6+
1-(6-Amino-7,8-Dimethyl-...
C17H22N5O6+
Molecular Mass 391.379 g·mol−1 Heat of Formation 1528.2 ± 16.7 kJ·mol−1 Dipole Moment 6.92 ± 1.08 D Volume 386.41 Å 3 1-{6-[(2r)-1-Carboxy-2-T...
C31H48N4O11P+
1-{6-[(2r)-1-Carboxy-2-T...
C31H48N4O11P+
Molecular Mass 683.707 g·mol−1 Heat of Formation 1994.7 ± 16.7 kJ·mol−1 Dipole Moment 8.73 ± 1.08 D Volume 663.71 Å 3 4-Amino-1-[(1s,4s,5r)-4,...
C10H3N3O4
4-Amino-1-[(1s,4s,5r)-4,...
C10H3N3O4
Molecular Mass 239.228 g·mol−1 Heat of Formation -564.6 ± 16.7 kJ·mol−1 Dipole Moment 5.41 ± 1.08 D Volume 263.67 Å 3 N~2~-{(2r,4s,5s)-6-Cyclo...
C51H28N8O9
N~2~-{(2r,4s,5s)-6-Cyclo...
C51H28N8O9
Molecular Mass 945.197 g·mol−1 Heat of Formation 5098.8 ± 16.7 kJ·mol−1 Dipole Moment 22.87 ± 1.08 D Volume 743.08 Å 3 5'-O-Thiophosphonouridin...
C9H5N2O8PS
5'-O-Thiophosphonouridin...
C9H5N2O8PS
Molecular Mass 340.247 g·mol−1 Heat of Formation -440.9 ± 16.7 kJ·mol−1 Dipole Moment 3.63 ± 1.08 D Volume 321.49 Å 3 4-Amino-2h-Pyrazolo[3,4-...
C5H12N5O+
4-Amino-2h-Pyrazolo[3,4-...
C5H12N5O+
Molecular Mass 151.126 g·mol−1 Heat of Formation 225.8 ± 16.7 kJ·mol−1 Dipole Moment 11.27 ± 1.08 D Volume 158.75 Å 3 5-(1-Azido-2-Chloroethyl...
C11H6ClN5O4
5-(1-Azido-2-Chloroethyl...
C11H6ClN5O4
Molecular Mass 317.729 g·mol−1 Heat of Formation 835.3 ± 16.7 kJ·mol−1 Dipole Moment 25.89 ± 1.08 D Volume 322.45 Å 3 5-Methyl-2,4-Dioxo-1-{[1...
C13H11N5O6
5-Methyl-2,4-Dioxo-1-{[1...
C13H11N5O6
Molecular Mass 339.304 g·mol−1 Heat of Formation -836.0 ± 16.7 kJ·mol−1 Dipole Moment 3.18 ± 1.08 D Volume 364.75 Å 3 Methyl N-[5-(3,6-Dihydro...
C12H13N5O4+
Methyl N-[5-(3,6-Dihydro...
C12H13N5O4+
Molecular Mass 292.271 g·mol−1 Heat of Formation -316.6 ± 16.7 kJ·mol−1 Dipole Moment 7.24 ± 1.08 D Volume 317.42 Å 3 Methyl 5-(3,6-Dihydro-1(...
C12H14N5O4+
Methyl 5-(3,6-Dihydro-1(...
C12H14N5O4+
Molecular Mass 291.263 g·mol−1 Heat of Formation -210.7 ± 16.7 kJ·mol−1 Dipole Moment 9.53 ± 1.08 D Volume 314.16 Å 3 5-Deoxy-5-(8-Hydroxy-2,4...
C16H18N3O7+
5-Deoxy-5-(8-Hydroxy-2,4...
C16H18N3O7+
Molecular Mass 364.330 g·mol−1 Heat of Formation -1132.8 ± 16.7 kJ·mol−1 Dipole Moment 9.13 ± 1.08 D Volume 390.74 Å 3 N~2~-[{(2s,3s)-4-Cyclohe...
C50H38N9O9
N~2~-[{(2s,3s)-4-Cyclohe...
C50H38N9O9
Molecular Mass 946.185 g·mol−1 Heat of Formation 6591.8 ± 16.7 kJ·mol−1 Dipole Moment 3.97 ± 1.08 D Volume 986.54 Å 3 1h-Indole-2,3-Dione, 3-O...
C8H9N2O2+
1h-Indole-2,3-Dione, 3-O...
C8H9N2O2+
Molecular Mass 162.145 g·mol−1 Heat of Formation 107.5 ± 16.7 kJ·mol−1 Dipole Moment 2.89 ± 1.08 D Volume 184.71 Å 3 6,7-Dichloro-1h-Indole-2...
C8H7Cl2N2O2+
6,7-Dichloro-1h-Indole-2...
C8H7Cl2N2O2+
Molecular Mass 231.036 g·mol−1 Heat of Formation 49.3 ± 16.7 kJ·mol−1 Dipole Moment 5.22 ± 1.08 D Volume 228.33 Å 3 7,8-Dimethyl-10-[(3r,4r)...
C23H12N4O11
7,8-Dimethyl-10-[(3r,4r)...
C23H12N4O11
Molecular Mass 538.504 g·mol−1 Heat of Formation 847.8 ± 16.7 kJ·mol−1 Dipole Moment 17.54 ± 1.08 D Volume 511.33 Å 3 1-{3-Azido-2,3-Dideoxy-5...
C16H10N6O5
1-{3-Azido-2,3-Dideoxy-5...
C16H10N6O5
Molecular Mass 374.351 g·mol−1 Heat of Formation 1565.9 ± 16.7 kJ·mol−1 Dipole Moment 8.47 ± 1.08 D Volume 377.95 Å 3 N,n-Dimethyl-10-[3-(4-Ox...
C26H32N5O3S2
N,n-Dimethyl-10-[3-(4-Ox...
C26H32N5O3S2
Molecular Mass 577.761 g·mol−1 Heat of Formation -123.3 ± 16.7 kJ·mol−1 Dipole Moment 8.54 ± 1.08 D Volume 674.95 Å 3 [[(2r,3s,4r,5r)-5-(6-Ami...
C30H20N8O15P2
[[(2r,3s,4r,5r)-5-(6-Ami...
C30H20N8O15P2
Molecular Mass 812.615 g·mol−1 Heat of Formation 2068.3 ± 16.7 kJ·mol−1 Dipole Moment 3.25 ± 1.08 D Volume 813.59 Å 3 Dimethyl 2,6-Dimethyl-4-...
C29H22N4O5
Dimethyl 2,6-Dimethyl-4-...
C29H22N4O5
Molecular Mass 584.705 g·mol−1 Heat of Formation -660.5 ± 16.7 kJ·mol−1 Dipole Moment 7.21 ± 1.08 D Volume 707.29 Å 3 5-Deoxy-5-(7,8-Dimethyl-...
C17H22N4O9P+
5-Deoxy-5-(7,8-Dimethyl-...
C17H22N4O9P+
Molecular Mass 457.352 g·mol−1 Heat of Formation -1792.4 ± 16.7 kJ·mol−1 Dipole Moment 13.63 ± 1.08 D Volume 482.27 Å 3 N-[2-({3-[4-Hydroxy-3-(~...
C21H7IN4O5S
N-[2-({3-[4-Hydroxy-3-(~...
C21H7IN4O5S
Molecular Mass 574.448 g·mol−1 Heat of Formation 1888.1 ± 16.7 kJ·mol−1 Dipole Moment 4.04 ± 1.08 D Volume 465.54 Å 3 3-Cyano-5-(4-Pyridyl)-6-...
C12H7N5O
3-Cyano-5-(4-Pyridyl)-6-...
C12H7N5O
Molecular Mass 239.233 g·mol−1 Heat of Formation 1402.2 ± 16.7 kJ·mol−1 Dipole Moment 5.72 ± 1.08 D Volume 260.24 Å 3 4-Isocyanatobenzonitrile
C8H4N2O
4-Isocyanatobenzonitrile
C8H4N2O
Molecular Mass 144.130 g·mol−1 Heat of Formation 158.3 ± 16.7 kJ·mol−1 Dipole Moment 1.87 ± 1.08 D Volume 172.28 Å 3 1-{1-[4-(6-Phenyl-1h-Imi...
C28H29N7O
1-{1-[4-(6-Phenyl-1h-Imi...
C28H29N7O
Molecular Mass 551.640 g·mol−1 Heat of Formation 551.6 ± 16.7 kJ·mol−1 Dipole Moment 5.41 ± 1.08 D Volume 648.2 Å 3 2-Amino-9-{5-O-[({[(2-Am...
C20H9N10O13P2S2
2-Amino-9-{5-O-[({[(2-Am...
C20H9N10O13P2S2
Molecular Mass 742.573 g·mol−1 Heat of Formation 401.3 ± 16.7 kJ·mol−1 Dipole Moment 36.51 ± 1.08 D Volume 658.34 Å 3 2-(5,7-Dichloro-2-Oxo-2h...
C16H14Cl2N4O2S
2-(5,7-Dichloro-2-Oxo-2h...
C16H14Cl2N4O2S
Molecular Mass 395.263 g·mol−1 Heat of Formation 234.4 ± 16.7 kJ·mol−1 Dipole Moment 4.61 ± 1.08 D Volume 424.67 Å 3 2,2-Dichloro-N-[3-Hydrox...
C11H4Cl2N2O5
2,2-Dichloro-N-[3-Hydrox...
C11H4Cl2N2O5
Molecular Mass 321.113 g·mol−1 Heat of Formation 606.4 ± 16.7 kJ·mol−1 Dipole Moment 8.41 ± 1.08 D Volume 301.36 Å 3 Isatin Thiosemicarbazone
C9H10N4OS
Isatin Thiosemicarbazone
C9H10N4OS
Molecular Mass 220.251 g·mol−1 Heat of Formation 331.0 ± 16.7 kJ·mol−1 Dipole Moment 2.02 ± 1.08 D Volume 253.92 Å 3 5-[(6-Hydroxy-2,4-Dioxo-...
C8H7N5O6
5-[(6-Hydroxy-2,4-Dioxo-...
C8H7N5O6
Molecular Mass 265.139 g·mol−1 Heat of Formation -732.8 ± 16.7 kJ·mol−1 Dipole Moment 2.44 ± 1.08 D Volume 256.22 Å 3 7-{[(z)-N-(1-Amino-2-Phe...
C20H15N6O4S3
7-{[(z)-N-(1-Amino-2-Phe...
C20H15N6O4S3
Molecular Mass 518.632 g·mol−1 Heat of Formation -166.8 ± 16.7 kJ·mol−1 Dipole Moment 5.51 ± 1.08 D Volume 580.55 Å 3 1-(4-Isocyanatophenyl)-1...
C11H6N2O3
1-(4-Isocyanatophenyl)-1...
C11H6N2O3
Molecular Mass 214.177 g·mol−1 Heat of Formation -156.8 ± 16.7 kJ·mol−1 Dipole Moment 4.22 ± 1.08 D Volume 235.08 Å 3 (5's,13'r)-4'-Allyl-10',...
C21H9N3O5
(5's,13'r)-4'-Allyl-10',...
C21H9N3O5
Molecular Mass 396.416 g·mol−1 Heat of Formation 2002.0 ± 16.7 kJ·mol−1 Dipole Moment 9.78 ± 1.08 D Volume 399.21 Å 3 [(1r)-2-[(2r,3s,4r,5r)-5...
C19H17N8O14P2
[(1r)-2-[(2r,3s,4r,5r)-5...
C19H17N8O14P2
Molecular Mass 652.402 g·mol−1 Heat of Formation -2804.2 ± 16.7 kJ·mol−1 Dipole Moment 3.35 ± 1.08 D Volume 649.35 Å 3 P-Chlorophenyl Isocyanat...
C7H4ClNO
P-Chlorophenyl Isocyanat...
C7H4ClNO
Molecular Mass 153.566 g·mol−1 Heat of Formation -11.1 ± 16.7 kJ·mol−1 Dipole Moment 0.83 ± 1.08 D Volume 169.48 Å 3 Chlorophenyl Isocyanate
C7H4ClNO
Chlorophenyl Isocyanate
C7H4ClNO
Molecular Mass 153.566 g·mol−1 Heat of Formation -22.5 ± 16.7 kJ·mol−1 Dipole Moment 2.92 ± 1.08 D Volume 163.11 Å 3 5-Isocyanato-2-Methylani...
C8H8N2O
5-Isocyanato-2-Methylani...
C8H8N2O
Molecular Mass 148.162 g·mol−1 Heat of Formation -23.5 ± 16.7 kJ·mol−1 Dipole Moment 4.35 ± 1.08 D Volume 180.65 Å 3 5'-2,3,7-Trihydroxanthyl...
C10H6N4O9P
5'-2,3,7-Trihydroxanthyl...
C10H6N4O9P
Molecular Mass 365.213 g·mol−1 Heat of Formation -1717.7 ± 16.7 kJ·mol−1 Dipole Moment 6.71 ± 1.08 D Volume 360.06 Å 3 (4s,4as,12ar)-7-Chloro-4...
C21H29ClN2O8
(4s,4as,12ar)-7-Chloro-4...
C21H29ClN2O8
Molecular Mass 464.853 g·mol−1 Heat of Formation 1470.0 ± 16.7 kJ·mol−1 Dipole Moment 2.93 ± 1.08 D Volume 476.99 Å 3 4-[4-[2-[(1r)-7-Fluoro-1...
C25H33FN5OS
4-[4-[2-[(1r)-7-Fluoro-1...
C25H33FN5OS
Molecular Mass 463.570 g·mol−1 Heat of Formation 74.5 ± 16.7 kJ·mol−1 Dipole Moment 2.75 ± 1.08 D Volume 538.66 Å 3 1-(6-Azido-7,8-Dimethyl-...
C17H21N7O6+
1-(6-Azido-7,8-Dimethyl-...
C17H21N7O6+
Molecular Mass 417.376 g·mol−1 Heat of Formation 1550.6 ± 16.7 kJ·mol−1 Dipole Moment 13.22 ± 1.08 D Volume 403.03 Å 3 1'-Benzyl-4-(~125~i)iodo...
C23H17IN2O2
1'-Benzyl-4-(~125~i)iodo...
C23H17IN2O2
Molecular Mass 486.361 g·mol−1 Heat of Formation 3567.6 ± 16.7 kJ·mol−1 Dipole Moment 2.98 ± 1.08 D Volume 432.93 Å 3 4-Amino-5-Fluoro-1-(beta...
C9FN3O5
4-Amino-5-Fluoro-1-(beta...
C9FN3O5
Molecular Mass 261.207 g·mol−1 Heat of Formation -977.8 ± 16.7 kJ·mol−1 Dipole Moment 3.89 ± 1.08 D Volume 267.59 Å 3 2-Chloro-4-Amino-6-Hydro...
C3H4ClN4O+
2-Chloro-4-Amino-6-Hydro...
C3H4ClN4O+
Molecular Mass 146.535 g·mol−1 Heat of Formation -0.0 ± 16.7 kJ·mol−1 Dipole Moment 8.75 ± 1.08 D Volume 142.82 Å 3 N-[3-(4-{[4-(2-Oxo-3,4-D...
C25H29N3O4
N-[3-(4-{[4-(2-Oxo-3,4-D...
C25H29N3O4
Molecular Mass 449.542 g·mol−1 Heat of Formation -609.3 ± 16.7 kJ·mol−1 Dipole Moment 8.05 ± 1.08 D Volume 558.6 Å 3 2'-Deoxy-5-(1-Propyn-1-Y...
C12H7N3O4
2'-Deoxy-5-(1-Propyn-1-Y...
C12H7N3O4
Molecular Mass 265.265 g·mol−1 Heat of Formation 1238.7 ± 16.7 kJ·mol−1 Dipole Moment 4.99 ± 1.08 D Volume 351.3 Å 3 2-Oxo-Histidine
C6H7N3O3
2-Oxo-Histidine
C6H7N3O3
Molecular Mass 169.138 g·mol−1 Heat of Formation -254.7 ± 16.7 kJ·mol−1 Dipole Moment 5.74 ± 1.08 D Volume 189.26 Å 3 1-(3',6'-Dihydroxy-3-Oxo...
C29H18N2O7S
1-(3',6'-Dihydroxy-3-Oxo...
C29H18N2O7S
Molecular Mass 538.527 g·mol−1 Heat of Formation -542.6 ± 16.7 kJ·mol−1 Dipole Moment 5.42 ± 1.08 D Volume 579.56 Å 3 1-Deoxy-1-(7-Methyl-2,4,...
C17H10N3O10P
1-Deoxy-1-(7-Methyl-2,4,...
C17H10N3O10P
Molecular Mass 457.329 g·mol−1 Heat of Formation 428.7 ± 16.7 kJ·mol−1 Dipole Moment 5.06 ± 1.08 D Volume 444.67 Å 3 5'-Deoxy-5'-Isocyanothym...
C11H8N3O4
5'-Deoxy-5'-Isocyanothym...
C11H8N3O4
Molecular Mass 251.239 g·mol−1 Heat of Formation 925.1 ± 16.7 kJ·mol−1 Dipole Moment 4.13 ± 1.08 D Volume 248.52 Å 3 (2xi)-1-Deoxy-1-(7,8-Dim...
C17H22N4O9P+
(2xi)-1-Deoxy-1-(7,8-Dim...
C17H22N4O9P+
Molecular Mass 447.272 g·mol−1 Heat of Formation 719.1 ± 16.7 kJ·mol−1 Dipole Moment 11.83 ± 1.08 D Volume 419.99 Å 3 4-(3-(isopropylamino)-2-...
C13H17N3O3
4-(3-(isopropylamino)-2-...
C13H17N3O3
Molecular Mass 262.293 g·mol−1 Heat of Formation -95.6 ± 16.7 kJ·mol−1 Dipole Moment 5.18 ± 1.08 D Volume 325.47 Å 3 1-{2-Deoxy-5-O-(2,2-Dime...
C22H15F3N3O7
1-{2-Deoxy-5-O-(2,2-Dime...
C22H15F3N3O7
Molecular Mass 501.453 g·mol−1 Heat of Formation 1014.4 ± 16.7 kJ·mol−1 Dipole Moment 23.12 ± 1.08 D Volume 498.01 Å 3 1-(3-Azido-2,3-Dideoxype...
C13H8N5O6
1-(3-Azido-2,3-Dideoxype...
C13H8N5O6
Molecular Mass 341.320 g·mol−1 Heat of Formation 1100.3 ± 16.7 kJ·mol−1 Dipole Moment 7.65 ± 1.08 D Volume 347.62 Å 3 (1e)-2-Diazonio-3-({9-[(...
C15H18N7O9P
(1e)-2-Diazonio-3-({9-[(...
C15H18N7O9P
Molecular Mass 470.311 g·mol−1 Heat of Formation 141.2 ± 16.7 kJ·mol−1 Dipole Moment 17.02 ± 1.08 D Volume 417.21 Å 3 [(2r,3s,4r,5r)-5-(6-Amin...
C19H13N7O15P2
[(2r,3s,4r,5r)-5-(6-Amin...
C19H13N7O15P2
Molecular Mass 653.387 g·mol−1 Heat of Formation -966.3 ± 16.7 kJ·mol−1 Dipole Moment 7.54 ± 1.08 D Volume 564.57 Å 3 3'-Azido-5'-O-[(16-Cyano...
C31H15N6O7
3'-Azido-5'-O-[(16-Cyano...
C31H15N6O7
Molecular Mass 604.654 g·mol−1 Heat of Formation 3045.3 ± 16.7 kJ·mol−1 Dipole Moment 7.47 ± 1.08 D Volume 621.42 Å 3 [(2r,3s,4r,5r)-5-(6-Amin...
C27H26N9O15P2
[(2r,3s,4r,5r)-5-(6-Amin...
C27H26N9O15P2
Molecular Mass 787.566 g·mol−1 Heat of Formation 940.4 ± 16.7 kJ·mol−1 Dipole Moment 14.15 ± 1.08 D Volume 714.47 Å 3 5-(3-{[4-(benzyloxy)benz...
C25H19N2O6
5-(3-{[4-(benzyloxy)benz...
C25H19N2O6
Molecular Mass 488.532 g·mol−1 Heat of Formation -739.7 ± 16.7 kJ·mol−1 Dipole Moment 3.37 ± 1.08 D Volume 578.2 Å 3 [(2r,3s,4r,5r)-5-(6-Amin...
C19H15N7O14P2S
[(2r,3s,4r,5r)-5-(6-Amin...
C19H15N7O14P2S
Molecular Mass 669.453 g·mol−1 Heat of Formation -2749.0 ± 16.7 kJ·mol−1 Dipole Moment 6.58 ± 1.08 D Volume 665.57 Å 3 P-Tolylisocyanate
C8H7NO
P-Tolylisocyanate
C8H7NO
Molecular Mass 133.147 g·mol−1 Heat of Formation -15.2 ± 16.7 kJ·mol−1 Dipole Moment 3.59 ± 1.08 D Volume 165.43 Å 3 Methyl Isocyanate
C2H5NO
Methyl Isocyanate
C2H5NO
Molecular Mass 57.051 g·mol−1 Heat of Formation -101.8 ± 16.7 kJ·mol−1 Dipole Moment 3.22 ± 1.08 D Volume 73.73 Å 3 [(2r,3s,5r)-3-Hydroxy-5-...
C16H10N2O15P2
[(2r,3s,5r)-3-Hydroxy-5-...
C16H10N2O15P2
Molecular Mass 548.330 g·mol−1 Heat of Formation -3351.1 ± 16.7 kJ·mol−1 Dipole Moment 5.29 ± 1.08 D Volume 563.22 Å 3 1-(3-Azido-2,3-Dideoxy-5...
C30H16N5O7
1-(3-Azido-2,3-Dideoxy-5...
C30H16N5O7
Molecular Mass 581.660 g·mol−1 Heat of Formation 2909.0 ± 16.7 kJ·mol−1 Dipole Moment 12.96 ± 1.08 D Volume 587.56 Å 3 2-Methyl-N-[4-(nitrooxy)...
C10H9N3O4
2-Methyl-N-[4-(nitrooxy)...
C10H9N3O4
Molecular Mass 245.276 g·mol−1 Heat of Formation 1692.9 ± 16.7 kJ·mol−1 Dipole Moment 2.27 ± 1.08 D Volume 247.4 Å 3 (2s,3s,4r,5r)-5-(6-Amino...
C10H6N6O4
(2s,3s,4r,5r)-5-(6-Amino...
C10H6N6O4
Molecular Mass 280.240 g·mol−1 Heat of Formation 584.6 ± 16.7 kJ·mol−1 Dipole Moment 3.75 ± 1.08 D Volume 313.94 Å 3 Cmp-Sialic Acid
C20H5N4O16P
Cmp-Sialic Acid
C20H5N4O16P
Molecular Mass 620.443 g·mol−1 Heat of Formation -1041.4 ± 16.7 kJ·mol−1 Dipole Moment 6.54 ± 1.08 D Volume 560.5 Å 3 Phenylisocyanate
C7H5NO
Phenylisocyanate
C7H5NO
Molecular Mass 119.121 g·mol−1 Heat of Formation 25.7 ± 16.7 kJ·mol−1 Dipole Moment 2.79 ± 1.08 D Volume 144.79 Å 3 [[(2r,3s,4r,5r)-5-(6-Ami...
C27H19N9O16P2
[[(2r,3s,4r,5r)-5-(6-Ami...
C27H19N9O16P2
Molecular Mass 798.525 g·mol−1 Heat of Formation 237.5 ± 16.7 kJ·mol−1 Dipole Moment 5.50 ± 1.08 D Volume 694.36 Å 3 8-Oxoguanine
C5H3N5O2
8-Oxoguanine
C5H3N5O2
Molecular Mass 165.110 g·mol−1 Heat of Formation 128.7 ± 16.7 kJ·mol−1 Dipole Moment 8.82 ± 1.08 D Volume 165.32 Å 3 4-Amino-1-(2-Deoxy-Beta-...
C10H2F3N3O4
4-Amino-1-(2-Deoxy-Beta-...
C10H2F3N3O4
Molecular Mass 295.215 g·mol−1 Heat of Formation -1308.7 ± 16.7 kJ·mol−1 Dipole Moment 2.93 ± 1.08 D Volume 298.85 Å 3