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:421
Name:Propiconazole
Description:
Labels:training, Aromatic_Heterocycles
CAS:60207-90-1
InChi Code:InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.39

experimental value

2.98

Eq1: Linear correlation with logP (Training set)

2.87

Eq2: Non-linear regression model (Training set)

2.87

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

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