| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UP7XGZ776M |
| EPA CompTox | DTXSID00210304 |
| InChI Key | XILHJTXOEMTUQR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8Br4N2O1 |
| Molecular Weight | 511.74 |
| AlogP | 5.69 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 61.27 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 61381-91-7 |
| NORMAN SUSDAT | |
| FDA SRS | UP7XGZ776M |
| PubChem | 3047720 |
| ChemSpider | 2310054.0 |