| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9069182 |
| InChI Key | ZBFUAGPRXUDDAB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H21Br1N6O8 |
| Molecular Weight | 564.06 |
| AlogP | 5.46 |
| Hydrogen Bond Acceptor | 11.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 182.36 |
| Heavy Atoms | 36.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 57414-26-3 |
| NORMAN SUSDAT | |
| PubChem | 93667 |
| ChemSpider | 84550.0 |