| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5069465 |
| InChI Key | XATSRGCAHHALNI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H15N3O4 |
| Molecular Weight | 337.11 |
| AlogP | 4.4 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 89.52 |
| Heavy Atoms | 25.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 61354-93-6 |
| NORMAN SUSDAT | |
| PubChem | 108549 |
| ChemSpider | 97604.0 |