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:340
Name:3-(3-Methoxyphenyl)-1,1-dimethylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:28170-54-9
InChi Code:InChI=1S/C10H14N2O2/c1-12(2)10(13)11-8-5-4-6-9(7-8)14-3/h4-7H,1-3H3,(H,11,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.72

experimental value

1.41

Eq1: Linear correlation with logP (Training set)

1.58

Eq2: Non-linear regression model (Training set)

1.58

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