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:119
Name:Flumetralin
Description:
Labels:training, Nitro-N-alkylanilines
CAS:62924-70-3
InChi Code:InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4

experimental value

4.77

Eq1: Linear correlation with logP (Training set)

4.94

Eq2: Non-linear regression model (Training set)

4.94

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

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