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:7
Name:1,2,3,4,7,8-Hexachlorodibenzofuran
Description:
Labels:
CAS:70648-26-9
InChi Code:InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-10.66

experimental value

-9.39

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

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