Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	617
	Name:	2,6-dinitro-4-(propan-2-yl)-N,N-dipropylaniline
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Isopropalin The representation of nitro groups was fixed
	Labels:
	CAS:	33820-53-0
	InChi Code:	InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
4	experimental value
3.7063	Tab2.Model_2: logKoc (Training set)

M3.GHLI: Global half-life index i

Value	Source or prediction
0.22223	experimental value
-0.4162	Tab2.Model_3: Global half-life index (Training set)

Links to External Resources

Link	Resource description
DTXSID8024157	US EPA CompTox Dashboard