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:24
Name:2,2',3,3',4,4',5-Heptachlorodiphenyl ether
Description:
Labels:
CAS:71585-40-5
InChi Code:InChI=1S/C12H3Cl7O/c13-4-1-2-6(10(17)8(4)15)20-7-3-5(14)9(16)12(19)11(7)18/h1-3H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-9.12

experimental value

-8.58

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