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:	336
	Name:	N,N-Dimethylbenzamide
	Description:
	Labels:	Validation
	CAS:	611-74-5
	InChi Code:	InChI=1/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.5	experimental value
1.7	Eq1: Best externally predictive model (Validation set)
1.76	Eq2: Full model, including all data (Training set)
1.19	Tab2-9: Correlation with logKow (Validation set)
1.38	Tab2-10: Correlation with logSw (Validation set)
1.38	Tab2-11: logKow and aromaticity (Validation set)
1.52	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID4060602	US EPA CompTox Dashboard