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:6
Name:1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin
Description:
Labels:
CAS:35822-46-9
InChi Code:InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-11.25

experimental value

-11.11

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

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