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:305
Name:Metalaxyl
Description:
Labels:training, Acetanilides
CAS:57837-19-1
InChi Code:InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.57

experimental value

1.82

Eq1: Linear correlation with logP (Training set)

1.85

Eq2: Non-linear regression model (Training set)

1.85

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

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