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:84
Name:2,2',3,4,4'-Pentachlorodiphenyl ether
Description:
Labels:
CAS:71585-37-0
InChi Code:InChI=1S/C12H5Cl5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.44

experimental value

-7.02

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