| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8071489 |
| InChI Key | LQCWXOOQZZDWCC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H19N3O5 |
| Molecular Weight | 393.13 |
| AlogP | 2.16 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 93.37 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68399-98-4 |
| NORMAN SUSDAT | |
| PubChem | 110150 |
| ChemSpider | 98917.0 |