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:324
Name:3-Phenyl-1-methylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:1007-36-9
InChi Code:InChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.29

experimental value

1.49

Eq1: Linear correlation with logP (Training set)

1.63

Eq2: Non-linear regression model (Training set)

1.63

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