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:143
Name:Aldrin
Description:
Labels:
CAS:309-00-2
InChi Code:InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11-

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6.5

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.31

experimental value

-5.7

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

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