| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CM7E3BR2XN |
| EPA CompTox | DTXSID00230840 |
| InChI Key | QUXBARPXUAPKDG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H9N1O4 |
| Molecular Weight | 255.05 |
| AlogP | 1.46 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Polar Surface Area | 100.62 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 81-51-6 |
| NORMAN SUSDAT | |
| FDA SRS | CM7E3BR2XN |
| PubChem | 6682 |
| ChemSpider | 6430.0 |