| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00647176 |
| InChI Key | RCZJXCXNYGHNSR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H17Br1N6O2 |
| Molecular Weight | 452.06 |
| AlogP | 1.98 |
| Hydrogen Bond Acceptor | 8.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 87.6 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 853029-57-9 |
| NORMAN SUSDAT | |
| PubChem | 24750049 |
| ChemSpider | 26519352.0 |