| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3066219 |
| InChI Key | MUHLVSZIVTURCZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H4Br1N3O2 |
| Molecular Weight | 240.95 |
| AlogP | 1.81 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 92.95 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 17601-94-4 |
| NORMAN SUSDAT | |
| PubChem | 87173 |
| ChemSpider | 78637.0 |