N-[(3',6'-Dihydroxy-3-Ox...
C33H28N6O10S
N-[(3',6'-Dihydroxy-3-Ox...
C33H28N6O10S
Molecular Mass 700.675 g·mol−1 Heat of Formation 2412.4 ± 16.7 kJ·mol−1 Dipole Moment 6.56 ± 1.08 D Volume 647.22 Å 3 5-Nitro-2,4,6(1h,3h,5h)-...
C4H3N3O5
5-Nitro-2,4,6(1h,3h,5h)-...
C4H3N3O5
Molecular Mass 173.084 g·mol−1 Heat of Formation -499.9 ± 16.7 kJ·mol−1 Dipole Moment 3.01 ± 1.08 D Volume 166.51 Å 3 2-[5-Chloro-2-[(4-Cyano-...
C17H12ClN3O6
2-[5-Chloro-2-[(4-Cyano-...
C17H12ClN3O6
Molecular Mass 389.747 g·mol−1 Heat of Formation -424.1 ± 16.7 kJ·mol−1 Dipole Moment 9.67 ± 1.08 D Volume 414.54 Å 3 (4-Nitrophenyl)methyl (5...
C23H24N3O9S
(4-Nitrophenyl)methyl (5...
C23H24N3O9S
Molecular Mass 518.516 g·mol−1 Heat of Formation -850.7 ± 16.7 kJ·mol−1 Dipole Moment 8.07 ± 1.08 D Volume 563.12 Å 3 1-Isocyanato-2-Methyl-3-...
C8H6N2O3
1-Isocyanato-2-Methyl-3-...
C8H6N2O3
Molecular Mass 178.145 g·mol−1 Heat of Formation -22.0 ± 16.7 kJ·mol−1 Dipole Moment 2.83 ± 1.08 D Volume 195.07 Å 3 1-Isocyanato-2-Methyl-3-...
C8H6N2O3
1-Isocyanato-2-Methyl-3-...
C8H6N2O3
Molecular Mass 178.145 g·mol−1 Heat of Formation -19.4 ± 16.7 kJ·mol−1 Dipole Moment 3.11 ± 1.08 D Volume 195.45 Å 3 2,2-Dichloro-N-[3-Hydrox...
C11H4Cl2N2O5
2,2-Dichloro-N-[3-Hydrox...
C11H4Cl2N2O5
Molecular Mass 315.066 g·mol−1 Heat of Formation 606.2 ± 16.7 kJ·mol−1 Dipole Moment 8.44 ± 1.08 D Volume 300.73 Å 3 4-[(e)-2-(5-Nitro-1-Viny...
C14H12N3O4
4-[(e)-2-(5-Nitro-1-Viny...
C14H12N3O4
Molecular Mass 286.263 g·mol−1 Heat of Formation 2.9 ± 16.7 kJ·mol−1 Dipole Moment 3.33 ± 1.08 D Volume 322.83 Å 3 1-(3',6'-Dihydroxy-3-Oxo...
C34H25N5O7S3
1-(3',6'-Dihydroxy-3-Oxo...
C34H25N5O7S3
Molecular Mass 711.787 g·mol−1 Heat of Formation 2851.0 ± 16.7 kJ·mol−1 Dipole Moment 10.75 ± 1.08 D Volume 721.3 Å 3 5(4h)-Oxazolone, 4-((4-(...
C18H16N3O4
5(4h)-Oxazolone, 4-((4-(...
C18H16N3O4
Molecular Mass 338.337 g·mol−1 Heat of Formation 70.6 ± 16.7 kJ·mol−1 Dipole Moment 4.45 ± 1.08 D Volume 382.06 Å 3 (z)-3-(4-Nitrophenoxy)pr...
C9H7NO4
(z)-3-(4-Nitrophenoxy)pr...
C9H7NO4
Molecular Mass 193.156 g·mol−1 Heat of Formation -119.3 ± 16.7 kJ·mol−1 Dipole Moment 1.56 ± 1.08 D Volume 215.71 Å 3 (e)-3-(4-Nitrophenoxy)pr...
C9H7NO4
(e)-3-(4-Nitrophenoxy)pr...
C9H7NO4
Molecular Mass 193.156 g·mol−1 Heat of Formation -116.9 ± 16.7 kJ·mol−1 Dipole Moment 1.03 ± 1.08 D Volume 216.77 Å 3 5-(2-Fluorophenyl)-7-Nit...
C15H10FN3O3
5-(2-Fluorophenyl)-7-Nit...
C15H10FN3O3
Molecular Mass 299.257 g·mol−1 Heat of Formation -83.3 ± 16.7 kJ·mol−1 Dipole Moment 2.40 ± 1.08 D Volume 321.65 Å 3 (2e)-4-[(2-Nitrophenyl)a...
C10H8N2O5
(2e)-4-[(2-Nitrophenyl)a...
C10H8N2O5
Molecular Mass 236.181 g·mol−1 Heat of Formation -396.9 ± 16.7 kJ·mol−1 Dipole Moment 3.31 ± 1.08 D Volume 251.98 Å 3 (2z)-4-[(2-Nitrophenyl)a...
C10H8N2O5
(2z)-4-[(2-Nitrophenyl)a...
C10H8N2O5
Molecular Mass 236.181 g·mol−1 Heat of Formation -396.3 ± 16.7 kJ·mol−1 Dipole Moment 2.05 ± 1.08 D Volume 252.47 Å 3 3-Fluoro-4-Nitro-Phenol
C6H4FNO3
3-Fluoro-4-Nitro-Phenol
C6H4FNO3
Molecular Mass 157.099 g·mol−1 Heat of Formation -303.4 ± 16.7 kJ·mol−1 Dipole Moment 5.97 ± 1.08 D Volume 157.97 Å 3 2-Propoxyethyl 5-[(isopr...
C24H33N3O8S
2-Propoxyethyl 5-[(isopr...
C24H33N3O8S
Molecular Mass 523.599 g·mol−1 Heat of Formation -20.3 ± 16.7 kJ·mol−1 Dipole Moment 6.68 ± 1.08 D Volume 591.53 Å 3 3-(dimethylamino)-1-(4-N...
C11H14N2O3
3-(dimethylamino)-1-(4-N...
C11H14N2O3
Molecular Mass 222.240 g·mol−1 Heat of Formation -89.0 ± 16.7 kJ·mol−1 Dipole Moment 5.16 ± 1.08 D Volume 269.32 Å 3 4-Methoxy-5-Nitro-2-(pyr...
C14H15N4O4
4-Methoxy-5-Nitro-2-(pyr...
C14H15N4O4
Molecular Mass 303.293 g·mol−1 Heat of Formation -161.0 ± 16.7 kJ·mol−1 Dipole Moment 5.94 ± 1.08 D Volume 337.21 Å 3 2-{[(2-Nitro-1h-Imidazol...
C9H12N4O5
2-{[(2-Nitro-1h-Imidazol...
C9H12N4O5
Molecular Mass 256.215 g·mol−1 Heat of Formation -213.6 ± 16.7 kJ·mol−1 Dipole Moment 4.47 ± 1.08 D Volume 301.8 Å 3 4-(dimethylamino)-3,10,1...
C21H21N3O9
4-(dimethylamino)-3,10,1...
C21H21N3O9
Molecular Mass 459.406 g·mol−1 Heat of Formation -1057.4 ± 16.7 kJ·mol−1 Dipole Moment 9.70 ± 1.08 D Volume 488.53 Å 3 Methyl [({(e)-[(2-Nitro-...
C13H17N3O5S
Methyl [({(e)-[(2-Nitro-...
C13H17N3O5S
Molecular Mass 327.356 g·mol−1 Heat of Formation -392.9 ± 16.7 kJ·mol−1 Dipole Moment 4.36 ± 1.08 D Volume 371.72 Å 3 (3r)-5-(2-Chlorophenyl)-...
C16H12ClN3O3
(3r)-5-(2-Chlorophenyl)-...
C16H12ClN3O3
Molecular Mass 329.738 g·mol−1 Heat of Formation 38.7 ± 16.7 kJ·mol−1 Dipole Moment 2.73 ± 1.08 D Volume 355.98 Å 3 2-Hydroxy-5-Nitro-Benzal...
C7H5NO4
2-Hydroxy-5-Nitro-Benzal...
C7H5NO4
Molecular Mass 167.119 g·mol−1 Heat of Formation -235.7 ± 16.7 kJ·mol−1 Dipole Moment 7.21 ± 1.08 D Volume 177.04 Å 3 3-[[(8r,9r,13s,14r,17s)-...
C24H37N5O5
3-[[(8r,9r,13s,14r,17s)-...
C24H37N5O5
Molecular Mass 475.581 g·mol−1 Heat of Formation 4031.7 ± 16.7 kJ·mol−1 Dipole Moment 9.28 ± 1.08 D Volume 511.08 Å 3 4,4,4-Trifluoro-1-(4-Nit...
C10H6F3NO4
4,4,4-Trifluoro-1-(4-Nit...
C10H6F3NO4
Molecular Mass 261.154 g·mol−1 Heat of Formation -853.2 ± 16.7 kJ·mol−1 Dipole Moment 2.52 ± 1.08 D Volume 262.23 Å 3 4-Nitrophenyl Vinyl Ethe...
C8H7NO3
4-Nitrophenyl Vinyl Ethe...
C8H7NO3
Molecular Mass 165.146 g·mol−1 Heat of Formation -6.9 ± 16.7 kJ·mol−1 Dipole Moment 5.64 ± 1.08 D Volume 189.62 Å 3 2-(4-Oxo-2h-1,3-Benzoxaz...
C10H10N2O5
2-(4-Oxo-2h-1,3-Benzoxaz...
C10H10N2O5
Molecular Mass 238.197 g·mol−1 Heat of Formation -315.3 ± 16.7 kJ·mol−1 Dipole Moment 4.00 ± 1.08 D Volume 258.2 Å 3 Methyl N-(4-((2-Chloro-4...
C19H18ClN5O4
Methyl N-(4-((2-Chloro-4...
C19H18ClN5O4
Molecular Mass 415.830 g·mol−1 Heat of Formation 97.7 ± 16.7 kJ·mol−1 Dipole Moment 4.69 ± 1.08 D Volume 476.25 Å 3 3-[(e)-2-Nitrovinyl]phen...
C8H7NO3
3-[(e)-2-Nitrovinyl]phen...
C8H7NO3
Molecular Mass 165.146 g·mol−1 Heat of Formation -60.3 ± 16.7 kJ·mol−1 Dipole Moment 6.38 ± 1.08 D Volume 188.19 Å 3 1-Isothiocyanato-4-(4-Ni...
C13H8N2O3S
1-Isothiocyanato-4-(4-Ni...
C13H8N2O3S
Molecular Mass 272.279 g·mol−1 Heat of Formation 195.3 ± 16.7 kJ·mol−1 Dipole Moment 3.68 ± 1.08 D Volume 302.18 Å 3 Eosin B Spirit Soluble
C20H8Br2N2O9
Eosin B Spirit Soluble
C20H8Br2N2O9
Molecular Mass 580.094 g·mol−1 Heat of Formation 485.0 ± 16.7 kJ·mol−1 Dipole Moment 4.70 ± 1.08 D Volume 473.3 Å 3 Koshland's Reagent 3
C8H7BrN2O4
Koshland's Reagent 3
C8H7BrN2O4
Molecular Mass 275.056 g·mol−1 Heat of Formation -279.2 ± 16.7 kJ·mol−1 Dipole Moment 8.06 ± 1.08 D Volume 240.78 Å 3 (2s)-2-Hydroxy-2-(4-Nitr...
C8H7NO5
(2s)-2-Hydroxy-2-(4-Nitr...
C8H7NO5
Molecular Mass 197.145 g·mol−1 Heat of Formation -485.9 ± 16.7 kJ·mol−1 Dipole Moment 4.04 ± 1.08 D Volume 208.95 Å 3 2-Chloro-N-[2-(4-Methyl-...
C18H19ClN4O3
2-Chloro-N-[2-(4-Methyl-...
C18H19ClN4O3
Molecular Mass 374.821 g·mol−1 Heat of Formation -4.0 ± 16.7 kJ·mol−1 Dipole Moment 9.99 ± 1.08 D Volume 421.68 Å 3 (z)-6-[(2s,4r,5r)-2-[1-M...
C25H31N2O7
(z)-6-[(2s,4r,5r)-2-[1-M...
C25H31N2O7
Molecular Mass 471.523 g·mol−1 Heat of Formation -762.8 ± 16.7 kJ·mol−1 Dipole Moment 6.63 ± 1.08 D Volume 563.65 Å 3 2-{[bis(2-Chloroethyl)am...
C14H19Cl2N3O4
2-{[bis(2-Chloroethyl)am...
C14H19Cl2N3O4
Molecular Mass 364.224 g·mol−1 Heat of Formation -436.3 ± 16.7 kJ·mol−1 Dipole Moment 5.78 ± 1.08 D Volume 413.12 Å 3 Ranbezolid
C20H14FN5O6++
Ranbezolid
C20H14FN5O6++
Molecular Mass 439.353 g·mol−1 Heat of Formation -585.6 ± 16.7 kJ·mol−1 Dipole Moment 5.98 ± 1.08 D Volume 518.78 Å 3 4-Nitroisobenzofuran-1,3...
C8H3NO5
4-Nitroisobenzofuran-1,3...
C8H3NO5
Molecular Mass 193.113 g·mol−1 Heat of Formation -292.3 ± 16.7 kJ·mol−1 Dipole Moment 6.23 ± 1.08 D Volume 188.08 Å 3 Benzyl (2s)-2-Amino-5-[(...
C13H19N5O4
Benzyl (2s)-2-Amino-5-[(...
C13H19N5O4
Molecular Mass 309.321 g·mol−1 Heat of Formation -250.4 ± 16.7 kJ·mol−1 Dipole Moment 3.52 ± 1.08 D Volume 367.08 Å 3 5-Amino-2-Nitro-Benzoic ...
C7H6N2O4
5-Amino-2-Nitro-Benzoic ...
C7H6N2O4
Molecular Mass 182.133 g·mol−1 Heat of Formation -290.6 ± 16.7 kJ·mol−1 Dipole Moment 8.12 ± 1.08 D Volume 191.25 Å 3 10-Hydroxy-6-Nitro-Napht...
C16H9NO7
10-Hydroxy-6-Nitro-Napht...
C16H9NO7
Molecular Mass 327.245 g·mol−1 Heat of Formation -568.9 ± 16.7 kJ·mol−1 Dipole Moment 7.34 ± 1.08 D Volume 326.74 Å 3 (e)-N~6~-[hydroxy(4-Nitr...
C18H25N4O7
(e)-N~6~-[hydroxy(4-Nitr...
C18H25N4O7
Molecular Mass 413.445 g·mol−1 Heat of Formation -669.7 ± 16.7 kJ·mol−1 Dipole Moment 5.93 ± 1.08 D Volume 509.7 Å 3 3-(5-Nitro-2-Furyl)-N-(2...
C10H4N2O5
3-(5-Nitro-2-Furyl)-N-(2...
C10H4N2O5
Molecular Mass 232.149 g·mol−1 Heat of Formation 1176.3 ± 16.7 kJ·mol−1 Dipole Moment 1.05 ± 1.08 D Volume 235.0 Å 3 (5z)-3-Benzyl-5-[(2-Hydr...
C17H12N2O4S2
(5z)-3-Benzyl-5-[(2-Hydr...
C17H12N2O4S2
Molecular Mass 372.418 g·mol−1 Heat of Formation 22.1 ± 16.7 kJ·mol−1 Dipole Moment 6.36 ± 1.08 D Volume 400.02 Å 3 Hydroxynitrodihydrothymi...
C5H7N3O5
Hydroxynitrodihydrothymi...
C5H7N3O5
Molecular Mass 189.126 g·mol−1 Heat of Formation 531.9 ± 16.7 kJ·mol−1 Dipole Moment 3.82 ± 1.08 D Volume 175.54 Å 3 5-(aziridin-1-Yl)-2-Nitr...
C9H8N4O4
5-(aziridin-1-Yl)-2-Nitr...
C9H8N4O4
Molecular Mass 236.184 g·mol−1 Heat of Formation 144.4 ± 16.7 kJ·mol−1 Dipole Moment 6.97 ± 1.08 D Volume 251.81 Å 3 5-(1-Aziridinyl)-2-Nitro...
C9H8N4O4
5-(1-Aziridinyl)-2-Nitro...
C9H8N4O4
Molecular Mass 236.184 g·mol−1 Heat of Formation 160.1 ± 16.7 kJ·mol−1 Dipole Moment 3.77 ± 1.08 D Volume 254.8 Å 3 2-Nitro-1-[2-(trifluorom...
C9H6F3NO4
2-Nitro-1-[2-(trifluorom...
C9H6F3NO4
Molecular Mass 249.143 g·mol−1 Heat of Formation -903.6 ± 16.7 kJ·mol−1 Dipole Moment 7.94 ± 1.08 D Volume 245.11 Å 3 (2r)-2-Benzyl-3-Nitro-Pr...
C10H11NO4
(2r)-2-Benzyl-3-Nitro-Pr...
C10H11NO4
Molecular Mass 209.199 g·mol−1 Heat of Formation -365.1 ± 16.7 kJ·mol−1 Dipole Moment 2.80 ± 1.08 D Volume 245.98 Å 3 2-Chloro-4-Fluoro-3-Meth...
C19H20ClFN4O3
2-Chloro-4-Fluoro-3-Meth...
C19H20ClFN4O3
Molecular Mass 406.839 g·mol−1 Heat of Formation -238.8 ± 16.7 kJ·mol−1 Dipole Moment 9.36 ± 1.08 D Volume 449.74 Å 3 Chloramphenicol Succinat...
C15H16Cl2N2O8
Chloramphenicol Succinat...
C15H16Cl2N2O8
Molecular Mass 423.202 g·mol−1 Heat of Formation -1129.1 ± 16.7 kJ·mol−1 Dipole Moment 6.24 ± 1.08 D Volume 447.77 Å 3 4-Nitroinden-1-One
C9H5NO3
4-Nitroinden-1-One
C9H5NO3
Molecular Mass 175.141 g·mol−1 Heat of Formation 75.2 ± 16.7 kJ·mol−1 Dipole Moment 2.50 ± 1.08 D Volume 186.49 Å 3 (z)-N-(3,3-Dimethyl-2-Bu...
C16H13N3O3
(z)-N-(3,3-Dimethyl-2-Bu...
C16H13N3O3
Molecular Mass 295.293 g·mol−1 Heat of Formation 3006.5 ± 16.7 kJ·mol−1 Dipole Moment 4.67 ± 1.08 D Volume 335.32 Å 3 Beta-Nitropropionic Acid
C3H5NO4
Beta-Nitropropionic Acid
C3H5NO4
Molecular Mass 119.076 g·mol−1 Heat of Formation -453.8 ± 16.7 kJ·mol−1 Dipole Moment 3.13 ± 1.08 D Volume 129.58 Å 3 (z)-N-(1,3-Benzodioxol-5...
C20H26N4O5S
(z)-N-(1,3-Benzodioxol-5...
C20H26N4O5S
Molecular Mass 434.509 g·mol−1 Heat of Formation -204.1 ± 16.7 kJ·mol−1 Dipole Moment 7.88 ± 1.08 D Volume 513.42 Å 3 4-Methyl-2-Nitrophenol
C7H7NO3
4-Methyl-2-Nitrophenol
C7H7NO3
Molecular Mass 153.135 g·mol−1 Heat of Formation -134.3 ± 16.7 kJ·mol−1 Dipole Moment 6.53 ± 1.08 D Volume 170.6 Å 3 4-Methyl-2-Nitro-Phenol
C7H7NO3
4-Methyl-2-Nitro-Phenol
C7H7NO3
Molecular Mass 153.135 g·mol−1 Heat of Formation -168.0 ± 16.7 kJ·mol−1 Dipole Moment 4.62 ± 1.08 D Volume 168.9 Å 3 2(1h)-Pyrimidinone, 4-Am...
C17H11N4O16P3
2(1h)-Pyrimidinone, 4-Am...
C17H11N4O16P3
Molecular Mass 620.208 g·mol−1 Heat of Formation -537.8 ± 16.7 kJ·mol−1 Dipole Moment 7.24 ± 1.08 D Volume 549.6 Å 3 [4-(6-Aminopurin-9-Yl)-1...
C16H18N8O13P
[4-(6-Aminopurin-9-Yl)-1...
C16H18N8O13P
Molecular Mass 561.334 g·mol−1 Heat of Formation 928.0 ± 16.7 kJ·mol−1 Dipole Moment 0.81 ± 1.08 D Volume 515.72 Å 3 5-Nitroisoindoline-1,3-D...
C8H4N2O4
5-Nitroisoindoline-1,3-D...
C8H4N2O4
Molecular Mass 192.128 g·mol−1 Heat of Formation -185.6 ± 16.7 kJ·mol−1 Dipole Moment 2.49 ± 1.08 D Volume 195.27 Å 3 (2s,3s,4s,5r,6r)-3,4,5-T...
C13H20N3O10
(2s,3s,4s,5r,6r)-3,4,5-T...
C13H20N3O10
Molecular Mass 378.312 g·mol−1 Heat of Formation -1285.5 ± 16.7 kJ·mol−1 Dipole Moment 6.62 ± 1.08 D Volume 403.67 Å 3 2-Nitramidoacetic Acid
C2H4N2O4
2-Nitramidoacetic Acid
C2H4N2O4
Molecular Mass 120.064 g·mol−1 Heat of Formation -379.2 ± 16.7 kJ·mol−1 Dipole Moment 4.13 ± 1.08 D Volume 123.0 Å 3 (nitroamino)acetic Acid
C2H4N2O4
(nitroamino)acetic Acid
C2H4N2O4
Molecular Mass 120.064 g·mol−1 Heat of Formation -378.3 ± 16.7 kJ·mol−1 Dipole Moment 4.30 ± 1.08 D Volume 123.52 Å 3 2-(2-Methyl-5-Nitro-Imid...
C13H14N3O4
2-(2-Methyl-5-Nitro-Imid...
C13H14N3O4
Molecular Mass 276.268 g·mol−1 Heat of Formation -154.9 ± 16.7 kJ·mol−1 Dipole Moment 6.75 ± 1.08 D Volume 309.39 Å 3 (1s)-1-(4-Nitrophenyl)-2...
C9H9NO3
(1s)-1-(4-Nitrophenyl)-2...
C9H9NO3
Molecular Mass 179.173 g·mol−1 Heat of Formation 1473.4 ± 16.7 kJ·mol−1 Dipole Moment 4.53 ± 1.08 D Volume 193.72 Å 3 N-Benzoyl-3-Nitro-L-Tyro...
C16H14N2O6
N-Benzoyl-3-Nitro-L-Tyro...
C16H14N2O6
Molecular Mass 330.292 g·mol−1 Heat of Formation -594.8 ± 16.7 kJ·mol−1 Dipole Moment 6.18 ± 1.08 D Volume 369.9 Å 3 N-Benzoyl-3-Nitro-L-Tyro...
C16H14N2O6
N-Benzoyl-3-Nitro-L-Tyro...
C16H14N2O6
Molecular Mass 330.292 g·mol−1 Heat of Formation -602.1 ± 16.7 kJ·mol−1 Dipole Moment 3.33 ± 1.08 D Volume 370.56 Å 3 (2s)-2-Amino-4-{hydroxy[...
C12H17N2O9P
(2s)-2-Amino-4-{hydroxy[...
C12H17N2O9P
Molecular Mass 364.245 g·mol−1 Heat of Formation -1371.5 ± 16.7 kJ·mol−1 Dipole Moment 6.00 ± 1.08 D Volume 388.24 Å 3 3-(2-Furoyl)-5-Methoxyca...
C20H18N2O6
3-(2-Furoyl)-5-Methoxyca...
C20H18N2O6
Molecular Mass 382.367 g·mol−1 Heat of Formation -413.0 ± 16.7 kJ·mol−1 Dipole Moment 3.31 ± 1.08 D Volume 432.11 Å 3 (e)-1-(4-Bromo-5-Nitro-2...
C5H3BrN2O3
(e)-1-(4-Bromo-5-Nitro-2...
C5H3BrN2O3
Molecular Mass 218.993 g·mol−1 Heat of Formation 126.0 ± 16.7 kJ·mol−1 Dipole Moment 4.51 ± 1.08 D Volume 178.82 Å 3 5-Nitro-2-[(2-Phenyl-3,4...
C20H12N2O4
5-Nitro-2-[(2-Phenyl-3,4...
C20H12N2O4
Molecular Mass 344.320 g·mol−1 Heat of Formation 2731.9 ± 16.7 kJ·mol−1 Dipole Moment 11.34 ± 1.08 D Volume 338.93 Å 3 [4-Amino-2-(4-Chloroanil...
C16H12ClN4O3S
[4-Amino-2-(4-Chloroanil...
C16H12ClN4O3S
Molecular Mass 375.810 g·mol−1 Heat of Formation 127.6 ± 16.7 kJ·mol−1 Dipole Moment 4.54 ± 1.08 D Volume 394.44 Å 3 5'-O-(p-Hydroxy-P-{[hydr...
C18H16N7O15P3+
5'-O-(p-Hydroxy-P-{[hydr...
C18H16N7O15P3+
Molecular Mass 663.279 g·mol−1 Heat of Formation -376.8 ± 16.7 kJ·mol−1 Dipole Moment 16.98 ± 1.08 D Volume 603.92 Å 3 4-Nitrophenyl 2-Fluoropr...
C9H8FNO4
4-Nitrophenyl 2-Fluoropr...
C9H8FNO4
Molecular Mass 213.163 g·mol−1 Heat of Formation -453.3 ± 16.7 kJ·mol−1 Dipole Moment 2.42 ± 1.08 D Volume 230.45 Å 3 Aranidipine
C19H20N2O7
Aranidipine
C19H20N2O7
Molecular Mass 388.371 g·mol−1 Heat of Formation -785.7 ± 16.7 kJ·mol−1 Dipole Moment 5.52 ± 1.08 D Volume 435.99 Å 3 2,2-Dichloro-N-[3-Hydrox...
C11H10Cl2N2O5
2,2-Dichloro-N-[3-Hydrox...
C11H10Cl2N2O5
Molecular Mass 321.114 g·mol−1 Heat of Formation -495.2 ± 16.7 kJ·mol−1 Dipole Moment 5.12 ± 1.08 D Volume 328.25 Å 3 2,2-Dichloro-N-[(1r)-1-(...
C11H10Cl2N2O5
2,2-Dichloro-N-[(1r)-1-(...
C11H10Cl2N2O5
Molecular Mass 321.113 g·mol−1 Heat of Formation -483.0 ± 16.7 kJ·mol−1 Dipole Moment 3.67 ± 1.08 D Volume 333.97 Å 3 N-[(5-Nitro-1,3-Thiazol-...
C6H6N4O5S
N-[(5-Nitro-1,3-Thiazol-...
C6H6N4O5S
Molecular Mass 246.201 g·mol−1 Heat of Formation -375.8 ± 16.7 kJ·mol−1 Dipole Moment 7.67 ± 1.08 D Volume 246.57 Å 3 5-[(6-Bromohexanoyl)amin...
C13H15BrN2O5
5-[(6-Bromohexanoyl)amin...
C13H15BrN2O5
Molecular Mass 359.173 g·mol−1 Heat of Formation -548.2 ± 16.7 kJ·mol−1 Dipole Moment 7.35 ± 1.08 D Volume 359.25 Å 3 2-[(4-Azido-2-Nitropheny...
C8H10N7O3
2-[(4-Azido-2-Nitropheny...
C8H10N7O3
Molecular Mass 252.210 g·mol−1 Heat of Formation 319.2 ± 16.7 kJ·mol−1 Dipole Moment 7.75 ± 1.08 D Volume 271.42 Å 3 (2e)-{[(4-Nitrophenyl)su...
C8H7N3O6S
(2e)-{[(4-Nitrophenyl)su...
C8H7N3O6S
Molecular Mass 273.223 g·mol−1 Heat of Formation -462.9 ± 16.7 kJ·mol−1 Dipole Moment 3.87 ± 1.08 D Volume 275.83 Å 3 (3r)-5-(2-Fluorophenyl)-...
C17H14FN3O3
(3r)-5-(2-Fluorophenyl)-...
C17H14FN3O3
Molecular Mass 327.310 g·mol−1 Heat of Formation -110.3 ± 16.7 kJ·mol−1 Dipole Moment 3.02 ± 1.08 D Volume 365.43 Å 3 5-(2-Chlorophenyl)-1,3-D...
C16H12ClN3O3
5-(2-Chlorophenyl)-1,3-D...
C16H12ClN3O3
Molecular Mass 329.738 g·mol−1 Heat of Formation 53.6 ± 16.7 kJ·mol−1 Dipole Moment 1.18 ± 1.08 D Volume 355.03 Å 3 5-(2-Chlorophenyl)-1-Met...
C16H12ClN3O3
5-(2-Chlorophenyl)-1-Met...
C16H12ClN3O3
Molecular Mass 329.738 g·mol−1 Heat of Formation 53.7 ± 16.7 kJ·mol−1 Dipole Moment 1.17 ± 1.08 D Volume 354.98 Å 3 2-Chloro-2-Fluoro-N-[2-(...
C10H10ClFN2O3
2-Chloro-2-Fluoro-N-[2-(...
C10H10ClFN2O3
Molecular Mass 260.649 g·mol−1 Heat of Formation -358.4 ± 16.7 kJ·mol−1 Dipole Moment 3.03 ± 1.08 D Volume 278.82 Å 3 (4-Nitrophenyl) (2s)-2-(...
C20H23N5O6
(4-Nitrophenyl) (2s)-2-(...
C20H23N5O6
Molecular Mass 429.426 g·mol−1 Heat of Formation -475.2 ± 16.7 kJ·mol−1 Dipole Moment 7.54 ± 1.08 D Volume 500.26 Å 3 O5-Isopropyl O3-(2-Metho...
C21H26N2O7
O5-Isopropyl O3-(2-Metho...
C21H26N2O7
Molecular Mass 418.440 g·mol−1 Heat of Formation -873.0 ± 16.7 kJ·mol−1 Dipole Moment 3.83 ± 1.08 D Volume 500.29 Å 3 3-(5-Nitro-2-Furyl)-N-(2...
C10H10N2O5
3-(5-Nitro-2-Furyl)-N-(2...
C10H10N2O5
Molecular Mass 238.197 g·mol−1 Heat of Formation -204.8 ± 16.7 kJ·mol−1 Dipole Moment 3.13 ± 1.08 D Volume 275.7 Å 3 Nitisinone
C14H10F3NO5
Nitisinone
C14H10F3NO5
Molecular Mass 329.228 g·mol−1 Heat of Formation -1048.9 ± 16.7 kJ·mol−1 Dipole Moment 6.75 ± 1.08 D Volume 333.5 Å 3 (2s)-2-Amino-3-[2-(2-Car...
C12H13ClN2O6
(2s)-2-Amino-3-[2-(2-Car...
C12H13ClN2O6
Molecular Mass 316.694 g·mol−1 Heat of Formation -770.4 ± 16.7 kJ·mol−1 Dipole Moment 6.10 ± 1.08 D Volume 339.58 Å 3 2-[carbamoyl-[(e)-(5-Nit...
C8H8N4O6
2-[carbamoyl-[(e)-(5-Nit...
C8H8N4O6
Molecular Mass 256.172 g·mol−1 Heat of Formation -424.2 ± 16.7 kJ·mol−1 Dipole Moment 4.10 ± 1.08 D Volume 267.43 Å 3 1-((4-Hydroxy-3-Nitrophe...
C12H10N2O7
1-((4-Hydroxy-3-Nitrophe...
C12H10N2O7
Molecular Mass 294.217 g·mol−1 Heat of Formation -675.4 ± 16.7 kJ·mol−1 Dipole Moment 4.82 ± 1.08 D Volume 309.15 Å 3 (2,5-Dioxopyrrolidin-1-Y...
C12H10N2O7
(2,5-Dioxopyrrolidin-1-Y...
C12H10N2O7
Molecular Mass 294.217 g·mol−1 Heat of Formation -675.4 ± 16.7 kJ·mol−1 Dipole Moment 4.83 ± 1.08 D Volume 309.05 Å 3 [4-[[4-Methoxy-3-(3h-Pyr...
C21H25N4O6
[4-[[4-Methoxy-3-(3h-Pyr...
C21H25N4O6
Molecular Mass 429.446 g·mol−1 Heat of Formation -481.2 ± 16.7 kJ·mol−1 Dipole Moment 9.63 ± 1.08 D Volume 497.84 Å 3 3-Ethyl 5-Methyl 2-{[(2-...
C20H25N3O6S
3-Ethyl 5-Methyl 2-{[(2-...
C20H25N3O6S
Molecular Mass 435.494 g·mol−1 Heat of Formation -655.3 ± 16.7 kJ·mol−1 Dipole Moment 4.15 ± 1.08 D Volume 497.6 Å 3 (3r)-3-Hex-1-Ynyl-3-Hydr...
C14H14N2O4
(3r)-3-Hex-1-Ynyl-3-Hydr...
C14H14N2O4
Molecular Mass 274.272 g·mol−1 Heat of Formation -98.8 ± 16.7 kJ·mol−1 Dipole Moment 4.94 ± 1.08 D Volume 321.0 Å 3 3-(1-Hexyn-1-Yl)-3-Hydro...
C14H14N2O4
3-(1-Hexyn-1-Yl)-3-Hydro...
C14H14N2O4
Molecular Mass 274.272 g·mol−1 Heat of Formation -88.7 ± 16.7 kJ·mol−1 Dipole Moment 4.03 ± 1.08 D Volume 319.84 Å 3 (2s,4s,5r,6r)-5-Acetamid...
C17H22N5O10S
(2s,4s,5r,6r)-5-Acetamid...
C17H22N5O10S
Molecular Mass 488.449 g·mol−1 Heat of Formation -1134.6 ± 16.7 kJ·mol−1 Dipole Moment 8.65 ± 1.08 D Volume 513.96 Å 3 2,6-Dichloro-4-Nitrophen...
C6H3Cl2NO3
2,6-Dichloro-4-Nitrophen...
C6H3Cl2NO3
Molecular Mass 207.999 g·mol−1 Heat of Formation -163.1 ± 16.7 kJ·mol−1 Dipole Moment 3.95 ± 1.08 D Volume 195.29 Å 3