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:858
Name:N-Ethyl-N-nitrosourea
Description:Name was changed from 1-Nitroso-1-ethylurea to N-Ethyl-N-nitrosourea
Labels:
CAS:759-73-9
InChi Code:InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
0.23

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-0.96

experimental value

-0.6

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

Links to External Resources