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:	612
	Name:	Propiconazole
	Description:
	Labels:	Training
	CAS:	60207-90-1
	InChi Code:	InChI=1/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.4	experimental value
4.16	Eq1: Best externally predictive model (Training set)
4.18	Eq2: Full model, including all data (Training set)
2.97	Tab2-9: Correlation with logKow (Training set)
2.65	Tab2-10: Correlation with logSw (Training set)
2.98	Tab2-11: logKow and aromaticity (Training set)
2.67	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID8024280	US EPA CompTox Dashboard