| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1071901 |
| InChI Key | CRELZBHEKSIUDR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6Br1N3O2 |
| Molecular Weight | 230.96 |
| AlogP | 1.64 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 82.05 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68957-50-6 |
| NORMAN SUSDAT | |
| PubChem | 111901 |
| ChemSpider | 98521.0 |