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:	1370
	Name:	2-pentyl-9,10-dihydroanthracene-9,10-dione
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-pentylanthraquinone
	Labels:
	CAS:	13936-21-5
	InChi Code:	InChI=1S/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.200825461	experimental value
-0.1689	Tab2.Model_5: Metab. biotransf. fish (Training set)