| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 088YQ1PU8W |
| EPA CompTox | DTXSID3062360 |
| InChI Key | WSPPHHAIMCTKNN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H11N1O4 |
| Molecular Weight | 269.07 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 89.62 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2379-90-0 |
| NORMAN SUSDAT | |
| FDA SRS | 088YQ1PU8W |
| PubChem | 16927 |
| ChemSpider | 16038.0 |