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:	392
	Name:	Butyl-N-phenylcarbamate
	Description:
	Labels:	Validation
	CAS:	1538-74-5
	InChi Code:	InChI=1/C11H15NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)/f/h12H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.3	experimental value
2.13	Eq1: Best externally predictive model (Validation set)
2.18	Eq2: Full model, including all data (Training set)
2.85	Tab2-9: Correlation with logKow (Validation set)
2.75	Tab2-10: Correlation with logSw (Validation set)
2.85	Tab2-11: logKow and aromaticity (Validation set)
2.76	Tab2-12: logSw and aromaticity (Validation set)