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:782
Name:Aldicarb
Description:
Labels:
CAS:116-06-3
InChi Code:InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.13

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.5

experimental value

-1.37

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

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