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:	542
	Name:	Pronamide
	Description:
	Labels:	Training
	CAS:	23950-58-5
	InChi Code:	InChI=1/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)/f/h15H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.3	experimental value
2.97	Eq1: Best externally predictive model (Training set)
2.98	Eq2: Full model, including all data (Training set)
3.22	Tab2-9: Correlation with logKow (Training set)
3.14	Tab2-10: Correlation with logSw (Training set)
3.15	Tab2-11: logKow and aromaticity (Training set)
3.09	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID2020420	US EPA CompTox Dashboard