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:328
Name:3-(3-Chloro-4-methoxyphenyl)-1-methylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:20782-57-4
InChi Code:InChI=1S/C9H11ClN2O2/c1-11-9(13)12-6-3-4-8(14-2)7(10)5-6/h3-5H,1-2H3,(H2,11,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.84

experimental value

2.16

Eq1: Linear correlation with logP (Training set)

2.11

Eq2: Non-linear regression model (Training set)

2.11

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