Martin, D.; Sild, S.; Maran, U.; Karelson, M. QSPR Modeling of the Polarizability of Polyaromatic Hydrocarbons and Fullerenes. J. Phys. Chem. C 2008, 112, 13, 4785–4790.

Compound

	ID:	BP
	Name:	benzo[a]pyrene
	Description:
	Labels:	Training
	CAS:	50-32-8
	InChi Code:	InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H

Properties

p_abinitio: Ab initio calculated polarizability [Å^3]

Value	Source or prediction
36.2	experimental value
32.6	Eq2: Main model (Training set)
38.2	Model_nA: Additional model with descriptor - number of atoms (Training set)
30.5	Model_nC: Additional model with descriptor - number of carbon atoms (Training set)

Links to External Resources

Link	Resource description
DTXSID2020139	US EPA CompTox Dashboard