| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0067686 |
| InChI Key | IUWBPTDPBVIOOI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5Br1N4O1 |
| Molecular Weight | 227.96 |
| AlogP | 0.49 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 63.05 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 32449-41-5 |
| NORMAN SUSDAT | |
| ChemSpider | 82709.0 |