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:313
Name:4-Fluorophenylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:659-30-3
InChi Code:InChI=1S/C7H7FN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.52

experimental value

1.47

Eq1: Linear correlation with logP (Training set)

1.61

Eq2: Non-linear regression model (Training set)

1.61

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