| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20195583 |
| InChI Key | CXJKOOUMPLYFMK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8Br1N1O3 |
| Molecular Weight | 304.97 |
| AlogP | 3.59 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 60.21 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 42959-99-9 |
| NORMAN SUSDAT | |
| PubChem | 3016398 |
| ChemSpider | 2284346.0 |