| Keyword(s): | Human Metabolites |
| Molecule Category | Salt-form |
| EPA CompTox | DTXSID50881144 |
| InChI Key | QQRRNNJXDYEDNO-UHFFFAOYSA-M |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H19F27N1O3 |
| Molecular Weight | 846.09 |
| AlogP | 7.35 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 18.0 |
| Polar Surface Area | 60.69 |
| Heavy Atoms | 52.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94159-76-9 |
| NORMAN SUSDAT | |
| PubChem | 21149800 |
| ChemSpider | 2289925.0 |