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:425
Name:Flutriafol
Description:
Labels:training, Aromatic_Heterocycles
CAS:76674-21-0
InChi Code:InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.88

experimental value

2.06

Eq1: Linear correlation with logP (Training set)

2.04

Eq2: Non-linear regression model (Training set)

2.04

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

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