10967/159 - QDB Compounds

QsarDB Repository

Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Compound

ID:614
Name:Methyl-urea
Description:
Labels:validation, Other_compounds
CAS:598-50-5
InChi Code:InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.8

experimental value

-0.04

Eq1: Linear correlation with logP (Validation set)

0.84

Eq2: Non-linear regression model (Validation set)

0.84

Eq3: Non-linear regression model with correction factors (Validation set)