10967/177 - QDB Compounds

QsarDB Repository

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:143
Name:2-(4-chlorophenyl)-[1,2,4]triazolo[3,2-a]isoquinoline
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Lotrifen
Labels:
CAS:66535-86-2
InChi Code:InChI=1S/C16H10ClN3/c17-13-7-5-12(6-8-13)15-18-16-14-4-2-1-3-11(14)9-10-20(16)19-15/h1-10H

Properties

M18.MP: Melting point [°C]

ValueSource or prediction
239

experimental value

213.951

Tab2.Model_18: (B)TAZ melting point (Training set)