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:	1133
	Name:	tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzanthrone
	Labels:
	CAS:	82-05-3
	InChi Code:	InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.689174539	experimental value
-0.4845	Tab2.Model_5: Metab. biotransf. fish (Training set)