| ID | 1075 |
| Name | Acetaminophen |
| Pubchem ID | 24847938 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 1299.85 |
| Exact mass | 1298.507789 |
| Molecular formula | C70H79ClN4O18 |
| XlogP | N/A |
| Topological Polar Surface Area | 301 |
| H-Bond Donor | 8 |
| H-Bond Acceptor | 21 |
| Rotational Bond Count | 6 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(=O)NC1=CC=C(C=C1)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O.Cl |
| Isomeric SMILE | CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O.Cl |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |