Niclosamide

Compound Structure

CAS Number: 50-65-7

Molecular Mass: 327.12 g/mol

Formula: C13H8Cl2N2O4

Smiles: O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 298.15 - 1.085 [299]
1-Butanol 303.15 - 1.094 [299]
1-Butanol 308.15 - 1.216 [299]
1-Butanol 313.15 - 1.217 [299]
1-Butanol 318.15 - 1.403 [299]
1-Butanol 323.15 - 2.053 [299]
Dimethyl sulfoxide 298.15 - 0.6973 [299]
Dimethyl sulfoxide 303.15 - 0.7352 [299]
Dimethyl sulfoxide 308.15 - 0.75 [299]
Dimethyl sulfoxide 313.15 - 0.7555 [299]
Dimethyl sulfoxide 318.15 - 0.7656 [299]
Dimethyl sulfoxide 323.15 - 0.9189 [299]
Ethanol 298.15 - 0.9259 [299]
Ethanol 303.15 - 1.015 [299]
Ethanol 308.15 - 1.026 [299]
Ethanol 313.15 - 1.02 [299]
Ethanol 318.15 - 1.085 [299]
Ethanol 323.15 - 1.1 [299]
Isopropanol 298.15 - 1.029 [299]
Isopropanol 303.15 - 1.159 [299]
Isopropanol 308.15 - 1.174 [299]
Isopropanol 313.15 - 1.271 [299]
Isopropanol 318.15 - 1.435 [299]
Isopropanol 323.15 - 1.439 [299]
Methanol 298.15 - 0.6246 [299]
Methanol 303.15 - 0.6137 [299]
Methanol 308.15 - 0.5473 [299]
Methanol 313.15 - 0.5321 [299]
Methanol 318.15 - 0.462 [299]
Methanol 323.15 - 0.4165 [299]
Water 298.15 - 0.00592 [299]
Water 303.15 - 0.0074 [299]
Water 308.15 - 0.0076 [299]
Water 313.15 - 0.0077 [299]
Water 318.15 - 0.0085 [299]
Water 323.15 - 0.01084 [299]

Molecule 3D descriptors

Descriptor Value
PMI1 944.7717
PMI2 4599.1350
PMI3 5412.2517
NPR1 0.1746
NPR2 0.8498
RadiusOfGyration 4.0922
InertialShapeFactor 0.0009
Eccentricity 0.9846
Asphericity 0.5661
SpherocityIndex 0.0341
PBF 0.3538