| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XJ7EB9BC7F |
| EPA CompTox | DTXSID0075366 |
| InChI Key | KEOLYBMGRQYQTN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H9Br1O1 |
| Molecular Weight | 259.98 |
| AlogP | 3.68 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 90-90-4 |
| NORMAN SUSDAT | |
| FDA SRS | XJ7EB9BC7F |
| PubChem | 7030 |
| ChemSpider | 6763.0 |