| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 717ZXC72EA |
| EPA CompTox | DTXSID4058865 |
| InChI Key | WITKIIIPSSFHST-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C28H15N1O4 |
| Molecular Weight | 429.1 |
| AlogP | 4.98 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 80.31 |
| Heavy Atoms | 33.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 82-22-4 |
| NORMAN SUSDAT | |
| FDA SRS | 717ZXC72EA |
| PubChem | 6700 |
| ChemSpider | 6445.0 |