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:583
Name:Asulam
Description:
Labels:training, Sulfone_derivatives
CAS:3337-71-1
InChi Code:InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.6

experimental value

0.49

Eq1: Linear correlation with logP (Training set)

1.07

Eq2: Non-linear regression model (Training set)

1.07

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

Links to External Resources