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:424
Name:Imazalil
Description:
Labels:training, Aromatic_Heterocycles
CAS:35554-44-0
InChi Code:InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.73

experimental value

2.94

Eq1: Linear correlation with logP (Training set)

2.83

Eq2: Non-linear regression model (Training set)

2.83

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

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