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:314
Name:3-Methyl-4-fluorophenylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:78508-45-9
InChi Code:InChI=1S/C8H9FN2O/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.75

experimental value

1.75

Eq1: Linear correlation with logP (Training set)

1.80

Eq2: Non-linear regression model (Training set)

1.8

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