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:1012
Name:Methyl carbamate
Description:Name was changed from O-methylcarbamate to Methyl carbamate
Labels:
CAS:598-55-0
InChi Code:InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
-0.66

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
0.97

experimental value

0.88

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

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