| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HG9MS3XRU5 |
| EPA CompTox | DTXSID50188746 |
| InChI Key | PKRKQYZQPMFUJG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H12Br1N1O2 |
| Molecular Weight | 269.01 |
| AlogP | 2.92 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 42.25 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 35249-62-8 |
| NORMAN SUSDAT | |
| FDA SRS | HG9MS3XRU5 |
| PubChem | 320411 |
| ChemSpider | 283631.0 |