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:145
Name:2',3,4-Trichlorobiphenyl
Description:
Labels:
CAS:38444-86-9
InChi Code:InChI=1S/C12H7Cl3/c13-10-4-2-1-3-9(10)8-5-6-11(14)12(15)7-8/h1-7H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.87

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.29

experimental value

-5.65

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

Links to External Resources