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:	545
	Name:	3-Chloro-4-methoxyphenylurea
	Description:
	Labels:	Training
	CAS:	25277-05-8
	InChi Code:	InChI=1/C8H9ClN2O2/c1-13-7-3-2-5(4-6(7)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)/f/h11H,10H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2	experimental value
1.99	Eq1: Best externally predictive model (Training set)
2.12	Eq2: Full model, including all data (Training set)
1.65	Tab2-9: Correlation with logKow (Training set)
1.86	Tab2-10: Correlation with logSw (Training set)
1.75	Tab2-11: logKow and aromaticity (Training set)
1.93	Tab2-12: logSw and aromaticity (Training set)