Clonazepam

Compound Structure

CAS Number: 1622-61-3

Molecular Mass: 315.71 g/mol

Formula: C15H10ClN3O3

Smiles: O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Ethanol 298.2 - 1.872 [403]
Ethanol 303.2 - 2.19 [403]
Ethanol 308.2 - 2.839 [403]
Ethanol 313.2 - 3.07 [403]
Ethanol 318.2 - 3.433 [403]
N-Methyl-2-pyrrolidone 298.2 - 43.88 [403]
N-Methyl-2-pyrrolidone 303.2 - 46.81 [403]
N-Methyl-2-pyrrolidone 308.2 - 61.92 [403]
N-Methyl-2-pyrrolidone 313.2 - 68.24 [403]
N-Methyl-2-pyrrolidone 318.2 - 73.0 [403]
Propylene Glycol 298.2 - 2.747 [403]
Propylene Glycol 303.2 - 4.452 [403]
Propylene Glycol 308.2 - 4.613 [403]
Propylene Glycol 313.2 - 4.938 [403]
Propylene Glycol 318.2 - 5.847 [403]
Water 298.2 - 0.00332 [403]
Water 303.2 - 0.00418 [403]
Water 308.2 - 0.00452 [403]
Water 313.2 - 0.00503 [403]
Water 318.2 - 0.00554 [403]

Molecule 3D descriptors

Descriptor Value
PMI1 1810.0351
PMI2 1928.8299
PMI3 3001.2963
NPR1 0.6031
NPR2 0.6427
RadiusOfGyration 3.2672
InertialShapeFactor 0.0004
Eccentricity 0.7977
Asphericity 0.1137
SpherocityIndex 0.3015
PBF 0.9370