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:25
Name:2,2',3,3',4,5',6'-Heptachlorodiphenyl ether
Description:
Labels:
CAS:83992-71-6
InChi Code:InChI=1S/C12H3Cl7O/c13-4-1-2-7(11(19)8(4)16)20-12-9(17)5(14)3-6(15)10(12)18/h1-3H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-9.09

experimental value

-8.89

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

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