Morphine | SBID = 649 | Compound | Pubchem logo

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 52.9
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 0.8
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 5.0
3D Volume/Å3: 211.2
Sum Formula: C17H19NO3
M / g/mol: 285.34
Complexity: 494.0
Number of Conformers: 1.0

Identifiers

  • Tags: typical guest, drug
  • Name: Morphine
  • Preferred Abbreviation: Morphine
  • IUPAC Name: (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
  • CAS: 57-27-2
  • CID: 5288826
  • InChiKey: BQJCRHHNABKAKU-KBQPJGBKSA-N
  • InChi: InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
  • CanoSmiles: CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
  • IsoSmiles: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O