10967/188 - QDB Compounds

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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:139
Name:1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
Description:Name was changed from 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethenyl]benzene to 1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
Labels:
CAS:3424-82-6
InChi Code:InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.36

experimental value

-6.79

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

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