Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.

Compound

	ID:	150
	Name:	2-methyl-4,6-dinitrophenol
	Description:	Molfile has been corrected for the nitro group(s).
	Labels:	Training
	CAS:	534-52-1
	InChi Code:	InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
0.18	experimental value
-0.292	Eq1: Full model (Training set)
-0.373	Eq2: Split model (Training set)

Links to External Resources

Link	Resource description
DTXSID1022053	US EPA CompTox Dashboard