| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DZU75P8VY8 |
| EPA CompTox | DTXSID30236037 |
| InChI Key | MBVCESWADCIXJN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H4Br1N1O2 |
| Molecular Weight | 224.94 |
| AlogP | 1.58 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 46.17 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 87-48-9 |
| NORMAN SUSDAT | |
| FDA SRS | DZU75P8VY8 |
| PubChem | 6889 |
| ChemSpider | 6624.0 |