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:31
Name:2,3,4,4',5,6-Hexachlorodiphenyl ether
Description:
Labels:
CAS:63646-56-0
InChi Code:InChI=1S/C12H4Cl6O/c13-5-1-3-6(4-2-5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-8.94

experimental value

-8.05

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

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