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:486
Name:Chloramben methyl ester
Description:
Labels:
CAS:7286-84-2
InChi Code:InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.26

experimental value

-2.31

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

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