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:590
Name:Sulfometuron methyl
Description:
Labels:training, Sulfone_derivatives
CAS:74222-97-2
InChi Code:InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.62

experimental value

1.45

Eq1: Linear correlation with logP (Training set)

1.60

Eq2: Non-linear regression model (Training set)

1.6

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

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