| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3070046 |
| InChI Key | NYLRCVQCELLYNI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C26H21Br1N6O2 |
| Molecular Weight | 528.09 |
| AlogP | 4.07 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 129.35 |
| Heavy Atoms | 35.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 64086-95-9 |
| NORMAN SUSDAT | |
| PubChem | 116538 |
| ChemSpider | 101489.0 |