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:351
Name:Monolinuron
Description:
Labels:training, Phenylureas_and_methylureas
CAS:1746-81-2
InChi Code:InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.84

experimental value

2.12

Eq1: Linear correlation with logP (Training set)

2.08

Eq2: Non-linear regression model (Training set)

2.08

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

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