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:	229
	Name:	N,N-Dimethylaniline
	Description:
	Labels:	Training
	CAS:	121-69-7
	InChi Code:	InChI=1/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.3	experimental value
2.69	Eq1: Best externally predictive model (Training set)
2.69	Eq2: Full model, including all data (Training set)
2.24	Tab2-9: Correlation with logKow (Training set)
2.03	Tab2-10: Correlation with logSw (Training set)
2.46	Tab2-11: logKow and aromaticity (Training set)
2.21	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID2020507	US EPA CompTox Dashboard