| ID | 1981 |
| Name | D029_SIGMA |
| Pubchem ID | 11957531 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 364.23 |
| Exact mass | 363.047006 |
| Molecular formula | C17H18BrNO3 |
| XlogP | N/A |
| Topological Polar Surface Area | 63.9 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 0 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=C3C1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O.Br |
| Isomeric SMILE | CN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O.Br |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |