| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3070547 |
| InChI Key | DBNNFEUEAYSBCO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H17Br1N6O6 |
| Molecular Weight | 480.04 |
| AlogP | 5.73 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 164.85 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67674-22-0 |
| NORMAN SUSDAT | |
| PubChem | 105522 |
| ChemSpider | 95157.0 |