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:325
Name:3-(3-Chlorophenyl)-1-methylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:20940-42-5
InChi Code:InChI=1S/C8H9ClN2O/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.93

experimental value

2.09

Eq1: Linear correlation with logP (Training set)

2.06

Eq2: Non-linear regression model (Training set)

2.06

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