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:203
Name:Chlordane
Description:
Labels:
CAS:57-74-9
InChi Code:InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.35

experimental value

-6.1

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

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