| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GNM9XBK3UN |
| EPA CompTox | DTXSID60193563 |
| InChI Key | PVCONXMDUZOPJH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H4Br1N1O1 |
| Molecular Weight | 196.95 |
| AlogP | 2.03 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 44.02 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40530-18-5 |
| NORMAN SUSDAT | |
| FDA SRS | GNM9XBK3UN |
| PubChem | 2757014 |
| ChemSpider | 2037774.0 |