| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3MHV399T7M |
| EPA CompTox | DTXSID80167746 |
| InChI Key | AWIYHSVPCXSVRF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9Br1O1 |
| Molecular Weight | 247.98 |
| AlogP | 3.82 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 16434-97-2 |
| NORMAN SUSDAT | |
| FDA SRS | 3MHV399T7M |
| PubChem | 85417 |
| ChemSpider | 77035.0 |