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:335
Name:3-(4-Methylphenyl)-1,1-dimethylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:7160-01-2
InChi Code:InChI=1S/C10H14N2O/c1-8-4-6-9(7-5-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.51

experimental value

1.66

Eq1: Linear correlation with logP (Training set)

1.74

Eq2: Non-linear regression model (Training set)

1.74

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