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:	481
	Name:	Propyl-N-phenylcarbamate
	Description:
	Labels:	Validation
	CAS:	5532-90-1
	InChi Code:	InChI=1/C10H13NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)/f/h11H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.1	experimental value
1.95	Eq1: Best externally predictive model (Validation set)
2.02	Eq2: Full model, including all data (Training set)
2.54	Tab2-9: Correlation with logKow (Validation set)
2.48	Tab2-10: Correlation with logSw (Validation set)
2.58	Tab2-11: logKow and aromaticity (Validation set)
2.52	Tab2-12: logSw and aromaticity (Validation set)