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:	150
	Name:	1,3,5-triazinane-2,4,6-triimine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Melamine
	Labels:
	CAS:	108-78-1
	InChi Code:	InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)

Properties

M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]

Value	Source or prediction
3.1	experimental value
3.4942	Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set)

M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
3.02	experimental value
2.4547	Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set)