| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DFW5HG9UJC |
| EPA CompTox | DTXSID50189995 |
| InChI Key | QXIBJIXBYGNLRE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C23H17N1O7 |
| Molecular Weight | 419.1 |
| AlogP | 4.08 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 125.15 |
| Heavy Atoms | 31.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 36490-27-4 |
| NORMAN SUSDAT | |
| FDA SRS | DFW5HG9UJC |
| PubChem | 118988 |
| ChemSpider | 106324.0 |