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:	1223
	Name:	2-azapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Dibenz(a.h)acridine
	Labels:
	CAS:	226-36-8
	InChi Code:	InChI=1S/C21H13N/c1-3-7-17-14(5-1)11-12-20-19(17)13-16-10-9-15-6-2-4-8-18(15)21(16)22-20/h1-13H

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.139174539	experimental value
0.4229	Tab2.Model_5: Metab. biotransf. fish (Training set)