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:162
Name:2,3',5-Trichlorobiphenyl
Description:
Labels:
CAS:38444-81-4
InChi Code:InChI=1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.76

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.01

experimental value

-5.57

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

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