| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1WE7149NTC |
| EPA CompTox | DTXSID10172747 |
| InChI Key | HVNXGOPARVAZNX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6Br1N1O4 |
| Molecular Weight | 258.95 |
| AlogP | 1.9 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 69.44 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 19199-82-7 |
| NORMAN SUSDAT | |
| FDA SRS | 1WE7149NTC |
| PubChem | 100667 |
| ChemSpider | 90953.0 |