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:454
Name:Thiabendazole
Description:
Labels:training, Aromatic_Heterocycles
CAS:148-79-8
InChi Code:InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.24

experimental value

2.3

Eq1: Linear correlation with logP (Training set)

2.23

Eq2: Non-linear regression model (Training set)

2.23

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

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