Langeron, J.; Blondel, A.; Sayen, S.; Hénon, E.; Couderchet, M.; Guillon, E. Molecular properties affecting the adsorption coefficient of pesticides from various chemical families. Environ. Sci. Pollut. Res. 2014, 21, 9727–9741.

Compound

	ID:	36
	Name:	Simazine
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)

Properties

logKdS1: Soil adsorption coefficient for soil 1 [log(l/kg)] i

Value	Source or prediction
0.8	experimental value
0.74	Eq.5: Model for pesticides for soil 1 (Training set)

logKdS2: Soil adsorption coefficient for soil 2 [log(l/kg)] i

Value	Source or prediction
0.4	experimental value
0.35	Eq.7: Model for pesticides for soil 2 (Training set)

Links to External Resources

Link	Resource description
DTXSID4021268	US EPA CompTox Dashboard