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:420
Name:Triadimefon
Description:
Labels:training, Aromatic_Heterocycles
CAS:43121-43-3
InChi Code:InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.71

experimental value

2.5

Eq1: Linear correlation with logP (Training set)

2.40

Eq2: Non-linear regression model (Training set)

2.4

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

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