| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8070205 |
| InChI Key | UWVWXCLYUOTGDJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H18Br1N5O6 |
| Molecular Weight | 503.04 |
| AlogP | 5.25 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 152.49 |
| Heavy Atoms | 32.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 65104-24-7 |
| NORMAN SUSDAT | |
| PubChem | 103180 |
| ChemSpider | 93191.0 |