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:	355
	Name:	4-Fluorophenylurea
	Description:
	Labels:	Training
	CAS:	659-30-3
	InChi Code:	InChI=1/C7H7FN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)/f/h10H,9H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.5	experimental value
1.24	Eq1: Best externally predictive model (Training set)
1.4	Eq2: Full model, including all data (Training set)
1.45	Tab2-9: Correlation with logKow (Training set)
1.59	Tab2-10: Correlation with logSw (Training set)
1.63	Tab2-11: logKow and aromaticity (Training set)
1.72	Tab2-12: logSw and aromaticity (Training set)