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:96
Name:2,3-Dichlorodibenzo-p-dioxin
Description:
Labels:
CAS:29446-15-9
InChi Code:InChI=1S/C12H6Cl2O2/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.23

experimental value

-6.59

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

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