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:376
Name:Fenobucarb
Description:Other name: 2-sec-Butylphenyl methylcarbamate
Labels:training, Phenylcarbamates
CAS:3766-81-2
InChi Code:InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.71

experimental value

2.68

Eq1: Linear correlation with logP (Training set)

2.57

Eq2: Non-linear regression model (Training set)

2.57

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

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