7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 284
Total Number of Articles : 343
PubChem 41322
Molecular Formula

C20H14O3

SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C6C(O6)C(C5O)O)C=C2

InChI

InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H

synonyms
  • 55097-80-8
  • BPDE
  • Benzo(a)pyrene diol epoxide
Click to show/hide the synonyms
Properties
Property Value
MW 302.3 g/mol
HBD 2
HBA 3
Rotatable Bond Count 0
Exact Mass 302.094294304 g/mol
Monoisotopic Mass 302.094294304 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 507
xlogp 2.9
Topological Polar Surface Area 53