| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00344911 |
| InChI Key | ODFDZOQJRPDQDF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6Br1N3 |
| Molecular Weight | 174.97 |
| AlogP | 0.76 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 43.84 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 105675-85-2 |
| NORMAN SUSDAT | |
| PubChem | 600351 |
| ChemSpider | 521937.0 |