Propranolol | SBID = 744 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 41.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 214.2 | ||
| Sum Formula: | C16H21NO2 | ||
| M / g/mol: | 259.34 | ||
| Complexity: | 257.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, drug, typical guest
- Name: Propranolol
- Preferred Abbreviation: Propranolol
- IUPAC Name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
- CAS: 525-66-6
- CID: 4946
- InChiKey: AQHHHDLHHXJYJD-UHFFFAOYSA-N
- InChi: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
- CanoSmiles: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
- IsoSmiles: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
