| ID | 2271 |
| Name | Heroin |
| Pubchem ID | 15168 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Analgesic |
| Drug Like Properties | No |
| Molecular Weight | 405.87 |
| Exact mass | 405.134301 |
| Molecular formula | C21H24ClNO5 |
| XlogP | N/A |
| Topological Polar Surface Area | 66.3 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 4 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CC[NH+]3C.[Cl-] |
| Isomeric SMILE | CC(=O)O[C@H]1C=C[C@H]2C3CC4=C5[C@]2(C1OC5=C(C=C4)OC(=O)C)CC[NH+]3C.[Cl-] |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |