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:	142
	Name:	12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Estazolam
	Labels:
	CAS:	29975-16-4
	InChi Code:	InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2

Properties

M18.MP: Melting point [°C]

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