| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6072344 |
| InChI Key | BKWLXQMMPYJEDE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H15N3O6 |
| Molecular Weight | 405.1 |
| AlogP | 3.41 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 144.79 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 71412-38-9 |
| NORMAN SUSDAT | |
| PubChem | 101533081 |
| ChemSpider | 4590366.0 |