| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50545057 |
| InChI Key | VQPBRWIFFBIRRP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H3Br1N2O2 |
| Molecular Weight | 213.94 |
| AlogP | 1.69 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 59.15 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 21594-52-5 |
| NORMAN SUSDAT | |
| PubChem | 13614458 |
| ChemSpider | 11496873.0 |