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:	108
	Name:	2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Drometrizole
	Labels:
	CAS:	2440-22-4
	InChi Code:	InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3

Properties

M17.logKow: The octanol-water partition coefficient as log(Kow)

Value	Source or prediction
4.31	experimental value
2.5822	Tab2.Model_17: (B)TAZ logKow (Training set)

M18.MP: Melting point [°C]

Value	Source or prediction
132	experimental value
178.7825	Tab2.Model_18: (B)TAZ melting point (Training set)