Diclofenac

Compound Structure

CAS Number: 15307-86-5

Molecular Mass: 296.1 g/mol

Formula: C14H11Cl2NO2

Smiles: O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetone 298.15 - 109.8 [228]
Acetonitrile 298.15 - 13.99 [228]
Carbon tetrachloride 298.15 - 1.804 [228]
Chlorobenzene 298.15 - 7.494 [228]
Chloroform 298.15 - 22.5 [228]
Ethanol 298.15 - 50.17 [228]
Hexane 298.15 - 0.0243 [228]

Molecule 3D descriptors

Descriptor Value
PMI1 1279.2137
PMI2 2028.2755
PMI3 2574.6058
NPR1 0.4969
NPR2 0.7878
RadiusOfGyration 3.1513
InertialShapeFactor 0.0006
Eccentricity 0.8678
Asphericity 0.1467
SpherocityIndex 0.2605
PBF 0.8109