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:149
Name:2,3,4'-Trichlorobiphenyl
Description:
Labels:
CAS:38444-85-8
InChi Code:InChI=1S/C12H7Cl3/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.42

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.26

experimental value

-5.74

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

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