| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JCC98TEZ4Y |
| EPA CompTox | DTXSID20986110 |
| InChI Key | LEWBSVBRCPCEKV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 229.99 |
| AlogP | 2.74 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67073-72-7 |
| NORMAN SUSDAT | |
| FDA SRS | JCC98TEZ4Y |
| PubChem | 105395 |