| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DEE5A22EXZ |
| EPA CompTox | DTXSID80186437 |
| InChI Key | ZENXDUDCTZLSRP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H10Br1N1O1 |
| Molecular Weight | 238.99 |
| AlogP | 2.47 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 36.02 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 32774-29-1 |
| NORMAN SUSDAT | |
| FDA SRS | DEE5A22EXZ |
| PubChem | 122956 |
| ChemSpider | 109597.0 |