| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QU54UE5GSE |
| EPA CompTox | DTXSID50170262 |
| InChI Key | NIUZVSQOXJIHBL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9Br1O2 |
| Molecular Weight | 215.98 |
| AlogP | 2.47 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 17715-69-4 |
| NORMAN SUSDAT | |
| FDA SRS | QU54UE5GSE |
| PubChem | 87266 |
| ChemSpider | 78722.0 |