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:115
Name:Benfluralin
Description:
Labels:training, Nitro-N-alkylanilines
CAS:1861-40-1
InChi Code:InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.03

experimental value

4.15

Eq1: Linear correlation with logP (Training set)

4.20

Eq2: Non-linear regression model (Training set)

4.2

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

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