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:436
Name:Tebuthiuron
Description:
Labels:training, Aromatic_Heterocycles
CAS:34014-18-1
InChi Code:InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.83

experimental value

2.08

Eq1: Linear correlation with logP (Training set)

2.05

Eq2: Non-linear regression model (Training set)

2.05

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

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