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:	300
	Name:	3-Fluoroacetanilide
	Description:
	Labels:	Training
	CAS:	351-28-0
	InChi Code:	InChI=1/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)/f/h10H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.6	experimental value
1.46	Eq1: Best externally predictive model (Training set)
1.58	Eq2: Full model, including all data (Training set)
1.81	Tab2-9: Correlation with logKow (Training set)
1.88	Tab2-10: Correlation with logSw (Training set)
1.97	Tab2-11: logKow and aromaticity (Training set)
1.99	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID00188594	US EPA CompTox Dashboard