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:344
Name:Chlorotoluron
Description:
Labels:training, Phenylureas_and_methylureas
CAS:15545-48-9
InChi Code:InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.02

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)

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