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:752
Name:Meprobamate
Description:
Labels:
CAS:57-53-4
InChi Code:InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
0.7

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.67

experimental value

-1.21

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

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