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:363
Name:Chlorbufam
Description:
Labels:training, Phenylcarbamates
CAS:1967-16-4
InChi Code:InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.21

experimental value

2.46

Eq1: Linear correlation with logP (Training set)

2.37

Eq2: Non-linear regression model (Training set)

2.37

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

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