| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30203325 |
| InChI Key | SKRSSNLRBLWLCE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9Br1O1 |
| Molecular Weight | 235.98 |
| AlogP | 3.61 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 54828-63-6 |
| NORMAN SUSDAT | |
| PubChem | 3016918 |
| ChemSpider | 2284766.0 |