| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UNE5XB7QKP |
| EPA CompTox | DTXSID4059590 |
| InChI Key | IIPRUQZTMZETSL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H10Br1N1O2 |
| Molecular Weight | 314.99 |
| AlogP | 3.27 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 46.17 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 128-93-8 |
| NORMAN SUSDAT | |
| FDA SRS | UNE5XB7QKP |
| PubChem | 31418 |
| ChemSpider | 29148.0 |