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:341
Name:3-(3-Chlorophenyl)-1,1-dimethylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:587-34-8
InChi Code:InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.79

experimental value

1.97

Eq1: Linear correlation with logP (Training set)

1.97

Eq2: Non-linear regression model (Training set)

1.97

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