| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2068636 |
| InChI Key | UPPWYHBZBLCPDK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H14Br1N1O4 |
| Molecular Weight | 411.01 |
| AlogP | 4.4 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 76.49 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 51418-86-1 |
| NORMAN SUSDAT | |
| PubChem | 5358227 |
| ChemSpider | 4513396.0 |