Acetaminophen | SBID = 320 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 49.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 120.2 | ||
| Sum Formula: | C8H9NO2 | ||
| M / g/mol: | 151.165 | ||
| Complexity: | 139.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, drug, typical guest
- Name: Acetaminophen
- Preferred Abbreviation: Paracetamol
- IUPAC Name: N-(4-hydroxyphenyl)acetamide
- CAS: 103-90-2
- CID: 1983
- InChiKey: RZVAJINKPMORJF-UHFFFAOYSA-N
- InChi: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
- CanoSmiles: CC(=O)NC1=CC=C(C=C1)O
- IsoSmiles: CC(=O)NC1=CC=C(C=C1)O
