| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5Y2DRA8MJW |
| EPA CompTox | DTXSID4060448 |
| InChI Key | DHYHYLGCQVVLOQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6Br1N1 |
| Molecular Weight | 170.97 |
| AlogP | 2.03 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 591-19-5 |
| NORMAN SUSDAT | |
| FDA SRS | 5Y2DRA8MJW |
| PubChem | 11562 |
| ChemSpider | 13860633.0 |