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:784
Name:Bis-(2-chloroethyl)-sulfone
Description:
Labels:
CAS:471-03-4
InChi Code:InChI=1S/C4H8Cl2O2S/c5-1-3-9(7,8)4-2-6/h1-4H2

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.5

experimental value

0.5

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