| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4HK400G5UO |
| EPA CompTox | DTXSID2058758 |
| InChI Key | LQLQRFGHAALLLE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H3Br1N2O2 |
| Molecular Weight | 189.94 |
| AlogP | 0.65 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 66.24 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 51-20-7 |
| NORMAN SUSDAT | |
| FDA SRS | 4HK400G5UO |
| PubChem | 5802 |
| ChemSpider | 5597.0 |