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:142
Name:Heptachlor
Description:
Labels:
CAS:76-44-8
InChi Code:InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6.1

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.32

experimental value

-5.12

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

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