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:326
Name:3-(3-Chloro-4-methylphenyl)-1-methylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:22175-22-0
InChi Code:InChI=1S/C9H11ClN2O/c1-6-3-4-7(5-8(6)10)12-9(13)11-2/h3-5H,1-2H3,(H2,11,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.1

experimental value

2.36

Eq1: Linear correlation with logP (Training set)

2.28

Eq2: Non-linear regression model (Training set)

2.28

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