Cotinine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 252
Total Number of Articles : 321
PubChem 854019
Molecular Formula

C10H12N2O

SMILES

CN1[C@@H](CCC1=O)C2=CN=CC=C2

InChI

InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1

synonyms
  • cotinine
  • (-)-Cotinine
  • 486-56-6
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Properties
Property Value
MW 176.21 g/mol
HBD 0
HBA 2
Rotatable Bond Count 1
Exact Mass 176.094963011 g/mol
Monoisotopic Mass 176.094963011 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 205
xlogp -0.3
Topological Polar Surface Area 33.2