| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6067173 |
| InChI Key | MJEWVKATPDZNHU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H20Br1N7O7 |
| Molecular Weight | 549.06 |
| AlogP | 5.01 |
| Hydrogen Bond Acceptor | 11.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 200.08 |
| Heavy Atoms | 35.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 26021-20-5 |
| NORMAN SUSDAT | |
| PubChem | 117707 |
| ChemSpider | 105187.0 |