| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40171905 |
| InChI Key | VUMPFOPENBVFOF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H9Br1O4 |
| Molecular Weight | 271.97 |
| AlogP | 2.02 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 18643-86-2 |
| NORMAN SUSDAT | |
| PubChem | 87741 |
| ChemSpider | 79159.0 |