10967/188 - QDB Compounds

QsarDB Repository

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:10
Name:1,2,3,6,7,8-Hexachlorodibenzofuran
Description:
Labels:
CAS:57117-44-9
InChi Code:InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-10.33

experimental value

-9.46

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

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