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:65
Name:2,7-Dichlorodibenzo-p-dioxin
Description:
Labels:
CAS:33857-26-0
InChi Code:InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.83

experimental value

-7.12

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

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