| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6P1O8U403T |
| EPA CompTox | DTXSID4057685 |
| InChI Key | JRXGULDSFFLUAO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H10Br1N1O2 |
| Molecular Weight | 254.99 |
| AlogP | 3.26 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 41.82 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 21440-97-1 |
| NORMAN SUSDAT | |
| FDA SRS | 6P1O8U403T |
| PubChem | 30630 |
| ChemSpider | 28428.0 |