| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1962) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 62M960DHIL |
| InChI Key | QSFKGMJOKUZAJM-CNKDKAJDSA-M |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H32BrNO2 |
| Molecular Weight | 362.35 |
| AlogP | 3.52 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 26.3 |
| Molecular species | None |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 80-50-2 |
| ChEBI | 2739 |
| ChEMBL | CHEMBL1578 |
| DrugBank | DB00517 |
| EPA CompTox | DTXSID8022612 |
| FDA SRS | 62M960DHIL |
| KEGG | C06830 |
| SureChEMBL | SCHEMBL250226 |
| ZINC | ZINC13454202 |