| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Z953VT8L52 |
| EPA CompTox | DTXSID1064326 |
| InChI Key | JTXHDKYIXSLUNZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H13N1O4 |
| Molecular Weight | 343.08 |
| AlogP | 3.8 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 86.96 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6409-74-1 |
| NORMAN SUSDAT | |
| FDA SRS | Z953VT8L52 |
| PubChem | 80851 |
| ChemSpider | 72992.0 |