nio

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 82
Total Number of Articles : 94
PubChem 938
Molecular Formula

C6H5NO2

SMILES

C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)

synonyms
  • nicotinic acid
  • niacin
  • 59-67-6
Click to show/hide the synonyms
Properties
Property Value
MW 123.11 g/mol
HBD 1
HBA 3
Rotatable Bond Count 1
Exact Mass 123.032028402 g/mol
Monoisotopic Mass 123.032028402 g/mol
Heavy Atom Count 9
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 114
xlogp 0.4
Topological Polar Surface Area 50.2