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:348
Name:3-(3,5-Dimethyl-4-bromophenyl)-1,1-dimethylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:78508-43-7
InChi Code:InChI=1S/C11H15BrN2O/c1-7-5-9(6-8(2)10(7)12)13-11(15)14(3)4/h5-6H,1-4H3,(H,13,15)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.53

experimental value

2.6

Eq1: Linear correlation with logP (Training set)

2.49

Eq2: Non-linear regression model (Training set)

2.49

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