| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8069351 |
| InChI Key | NXLZYWCPIVGZKC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H12Br1N1O4 |
| Molecular Weight | 408.99 |
| AlogP | 4.3 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 89.62 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 59722-76-8 |
| NORMAN SUSDAT | |
| PubChem | 108817 |
| ChemSpider | 97855.0 |