Gramatica, P.; Giani, E.; Papa, E. Statistical external validation and consensus modeling: A QSPR case study for Koc prediction. J. Mol. Graph. Model. 2007, 25, 6, 755–766.

Compound

	ID:	79
	Name:	Fenac
	Description:
	Labels:	Training
	CAS:	85-34-7
	InChi Code:	InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.6	experimental value
2.81	Eq1: Best externally predictive model (Training set)
2.86	Eq2: Full model, including all data (Training set)
2.8	Tab2-9: Correlation with logKow (Training set)
2.52	Tab2-10: Correlation with logSw (Training set)
2.83	Tab2-11: logKow and aromaticity (Training set)
2.56	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID2040284	US EPA CompTox Dashboard