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:	430
	Name:	Isocil
	Description:
	Labels:	training, Aromatic_Heterocycles
	CAS:	314-42-1
	InChi Code:	InChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

Value	Source or prediction
2.11	experimental value
1.82	Eq1: Linear correlation with logP (Training set)
1.86	Eq2: Non-linear regression model (Training set)
1.86	Eq3: Non-linear regression model with correction factors (Training set)

Links to External Resources

Link	Resource description
DTXSID2042064	US EPA CompTox Dashboard