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:5
Name:1,2,3,4,6,7,8-Heptachlorodibenzofuran
Description:
Labels:
CAS:67562-39-4
InChi Code:InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-11.48

experimental value

-10.21

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

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