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:412
Name:Fluazifop-butyl
Description:
Labels:training, Aromatic_Heterocycles
CAS:69806-50-4
InChi Code:InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.76

experimental value

3.96

Eq1: Linear correlation with logP (Training set)

3.97

Eq2: Non-linear regression model (Training set)

3.97

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

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