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:78
Name:2,3,3',4,4',6-Hexachlorobiphenyl
Description:
Labels:
CAS:74472-42-7
InChi Code:InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-8(15)4-9(16)11(17)12(10)18/h1-4H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
7.25

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.66

experimental value

-8.01

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

Links to External Resources