| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00157503 |
| InChI Key | KJLMRQHMWOMEST-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8Br1N1O1 |
| Molecular Weight | 236.98 |
| AlogP | 3.01 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 33.12 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 13235-12-6 |
| NORMAN SUSDAT | |
| PubChem | 83255 |
| ChemSpider | 75120.0 |