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:427
Name:Terbacil
Description:
Labels:training, Aromatic_Heterocycles
CAS:5902-51-2
InChi Code:InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.66

experimental value

2.03

Eq1: Linear correlation with logP (Training set)

2.01

Eq2: Non-linear regression model (Training set)

2.01

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

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