Cocaine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1870
Total Number of Articles : 4668
PubChem 446220
Molecular Formula

C17H21NO4

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1

synonyms
  • cocaine
  • Benzoylmethylecgonine
  • Neurocaine
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Properties
Property Value
MW 303.35 g/mol
HBD 0
HBA 5
Rotatable Bond Count 5
Exact Mass 303.14705815 g/mol
Monoisotopic Mass 303.14705815 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 432
xlogp 2.3
Topological Polar Surface Area 55.8