| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XV6ER0C1DT |
| EPA CompTox | DTXSID9022152 |
| InChI Key | RGQNFYVSEWDUEI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H11Br1O3 |
| Molecular Weight | 257.99 |
| AlogP | 2.28 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1204-21-3 |
| NORMAN SUSDAT | |
| FDA SRS | XV6ER0C1DT |
| PubChem | 70997 |
| ChemSpider | 64158.0 |