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:329
Name:3-Phenyl-1-cyclopropylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:13140-86-8
InChi Code:InChI=1S/C10H12N2O/c13-10(12-9-6-7-9)11-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.74

experimental value

1.94

Eq1: Linear correlation with logP (Training set)

1.94

Eq2: Non-linear regression model (Training set)

1.94

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