| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QG4HKZ6WYA |
| EPA CompTox | DTXSID6058847 |
| InChI Key | PXNNPGGYHAWDJW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H14N2O3 |
| Molecular Weight | 342.1 |
| AlogP | 3.68 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 92.75 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 81-46-9 |
| NORMAN SUSDAT | |
| FDA SRS | QG4HKZ6WYA |
| PubChem | 66479 |
| ChemSpider | 59850.0 |