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:114
Name:2,4,4',6-Tetrachlorobiphenyl
Description:
Labels:
CAS:32598-12-2
InChi Code:InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)12-10(15)5-9(14)6-11(12)16/h1-6H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.94

experimental value

-6.56

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

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