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:133
Name:Dichlorodiphenyldichloroethane
Description:
Labels:
CAS:72-54-8
InChi Code:InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6.22

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.55

experimental value

-6.41

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

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