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:	172
	Name:	6-(tert-butylamino)-4-(ethylimino)-1,4-dihydro-1,3,5-triazin-2-ol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: erbutylazine-2-hydroxy
	Labels:
	CAS:	66753-07-9
	InChi Code:	InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)

Properties

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

Value	Source or prediction
4.75	experimental value
5.0063	Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set)