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:	469
	Name:	Simatone
	Description:
	Labels:	training, Symtriazines
	CAS:	673-04-1
	InChi Code:	InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

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