Heroin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 443
Total Number of Articles : 600
PubChem 5462328
Molecular Formula

C21H23NO5

SMILES

CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C

InChI

InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1

synonyms
  • HEROIN
  • Diacetylmorphine
  • Diamorphine
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Properties
Property Value
MW 369.4 g/mol
HBD 0
HBA 6
Rotatable Bond Count 4
Exact Mass 369.15762283 g/mol
Monoisotopic Mass 369.15762283 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 692
xlogp 1.5
Topological Polar Surface Area 65.1