Benzo(a)pyrene

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1377
Total Number of Articles : 2442
PubChem 2336
Molecular Formula

C20H12

SMILES

C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3

InChI

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

synonyms
  • benzo[a]pyrene
  • 50-32-8
  • 3,4-Benzopyrene
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Properties
Property Value
MW 252.3 g/mol
HBD 0
HBA 0
Rotatable Bond Count 0
Exact Mass 252.093900383 g/mol
Monoisotopic Mass 252.093900383 g/mol
Heavy Atom Count 20
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 372
xlogp 6
Topological Polar Surface Area 0