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:553
Name:Isoprocarb
Description:
Labels:
CAS:2631-40-5
InChi Code:InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.31

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.86

experimental value

-2.47

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

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