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:20
Name:2,3,3',4,4',5,6-Heptachlorodiphenyl ether
Description:
Labels:
CAS:83992-70-5
InChi Code:InChI=1S/C12H3Cl7O/c13-5-2-1-4(3-6(5)14)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-9.46

experimental value

-9.93

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

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