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:	795
	Name:	tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,8,11,13,15-octaene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzo[a]fluorene
	Labels:
	CAS:	238-84-6
	InChi Code:	InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
5.46	experimental value
4.6436	Tab2.Model_2: logKoc (Training set)