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:323
Name:4-Phenoxylphenylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:78508-44-8
InChi Code:InChI=1S/C13H12N2O2/c14-13(16)15-10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H,(H3,14,15,16)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.56

experimental value

2.25

Eq1: Linear correlation with logP (Training set)

2.19

Eq2: Non-linear regression model (Training set)

2.19

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