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:	1222
	Name:	triphenylene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Triphenylene
	Labels:
	CAS:	217-59-4
	InChi Code:	InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.079174539	experimental value
0.3277	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID9059757	US EPA CompTox Dashboard