Simendan

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 141
Total Number of Articles : 165
PubChem 60867
Molecular Formula

C14H12N6O

SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N

InChI

InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)

synonyms
  • Simendan
  • 131741-08-7
  • Simendan [INN]
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Properties
Property Value
MW 280.28 g/mol
HBD 2
HBA 6
Rotatable Bond Count 3
Exact Mass 280.10725903 g/mol
Monoisotopic Mass 280.10725903 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 549
xlogp 2.3
Topological Polar Surface Area 113