1-nitropyrene

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 83
Total Number of Articles : 61
PubChem 21694
Molecular Formula

C16H9NO2

SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H

synonyms
  • 1-NITROPYRENE
  • 5522-43-0
  • 3-Nitropyrene
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Properties
Property Value
MW 247.25 g/mol
HBD 0
HBA 2
Rotatable Bond Count 0
Exact Mass 247.063328530 g/mol
Monoisotopic Mass 247.063328530 g/mol
Heavy Atom Count 19
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 377
xlogp 5
Topological Polar Surface Area 45.8