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:309
Name:Phenylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:64-10-8
InChi Code:InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.35

experimental value

1.3

Eq1: Linear correlation with logP (Training set)

1.50

Eq2: Non-linear regression model (Training set)

1.5

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

Links to External Resources