Deferiprone

Compound Structure

CAS Number: 30652-11-0

Molecular Mass: 139.15 g/mol

Formula: C7H9NO2

Smiles: Cc1c(O)c(=O)ccn1C

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetonitrile 283.1 - 0.5038 [191]
Acetonitrile 293.1 - 0.8603 [191]
Acetonitrile 303.1 - 1.567 [191]
Acetonitrile 313.1 - 2.346 [191]
Acetonitrile 323.1 - 3.498 [191]
Ethanol 298.2 - 3.32 [190]
Ethyl acetate 283.1 - 0.09762 [191]
Ethyl acetate 293.1 - 0.1477 [191]
Ethyl acetate 303.1 - 0.2177 [191]
Ethyl acetate 313.1 - 0.3018 [191]
Ethyl acetate 323.1 - 0.4334 [191]
Ethylene Glycol 298.2 - 18.47 [190]
Methanol 283.1 - 6.766 [191]
Methanol 293.1 - 11.99 [191]
Methanol 303.1 - 17.74 [191]
Methanol 313.1 - 26.18 [191]
Methanol 323.1 - 38.06 [191]
N-Methyl-2-pyrrolidone 298.2 - 2.9 [190]
Propylene Glycol 298.2 - 10.69 [190]
Water 283.1 - 14.27 [191]
Water 293.1 - 17.52 [191]
Water 303.1 - 23.87 [191]
Water 313.1 - 31.77 [191]
Water 323.1 - 40.72 [191]

Molecule 3D descriptors

Descriptor Value
PMI1 248.0695
PMI2 395.5321
PMI3 637.1927
NPR1 0.3893
NPR2 0.6207
RadiusOfGyration 2.1452
InertialShapeFactor 0.0025
Eccentricity 0.9211
Asphericity 0.2823
SpherocityIndex 0.0784
PBF 0.1877