Caffeine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1702
Total Number of Articles : 3058
PubChem 2519
Molecular Formula

C8H10N4O2

SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3

synonyms
  • caffeine
  • 58-08-2
  • Guaranine
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Properties
Property Value
MW 194.19 g/mol
HBD 0
HBA 3
Rotatable Bond Count 0
Exact Mass 194.08037557 g/mol
Monoisotopic Mass 194.08037557 g/mol
Heavy Atom Count 14
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 293
xlogp -0.1
Topological Polar Surface Area 58.4