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:183
Name:2,2',5-Trichlorobiphenyl
Description:
Labels:
CAS:37680-65-2
InChi Code:InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.6

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.65

experimental value

-5.36

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

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