10967/188 - QDB Compounds

QsarDB Repository

Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.

Compound

ID:1018
Name:Pyrrolidone
Description:
Labels:
CAS:616-45-5
InChi Code:InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
-0.85

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
1.07

experimental value

1.47

Eq.1: General solubility equation (Test set to verify GSE)

Links to External Resources