| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EG1Z5E88G9 |
| EPA CompTox | DTXSID1041685 |
| InChI Key | ODNZLRLWXRXPOH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8Br1N3O1 |
| Molecular Weight | 264.99 |
| AlogP | 1.58 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 60.91 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3042-84-0 |
| NORMAN SUSDAT | |
| FDA SRS | EG1Z5E88G9 |
| PubChem | 76441 |
| ChemSpider | 68913.0 |