Morphine | SBID = 649 | Compound |
Structure
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: drug, typical guest
- 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
