Metronidazole

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 236
Total Number of Articles : 268
PubChem 4173
Molecular Formula

C6H9N3O3

SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-]

InChI

InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3

synonyms
  • metronidazole
  • 443-48-1
  • Flagyl
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Properties
Property Value
MW 171.15 g/mol
HBD 1
HBA 4
Rotatable Bond Count 2
Exact Mass 171.06439116 g/mol
Monoisotopic Mass 171.06439116 g/mol
Heavy Atom Count 12
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 170
xlogp 0
Topological Polar Surface Area 83.9