| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 295D5VM0AP |
| EPA CompTox | DTXSID50185457 |
| InChI Key | UGBJRYUNSXFPOX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9Br1O3 |
| Molecular Weight | 243.97 |
| AlogP | 2.28 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 31558-40-4 |
| NORMAN SUSDAT | |
| FDA SRS | 295D5VM0AP |
| PubChem | 3015579 |
| ChemSpider | 510905.0 |