| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7068926 |
| InChI Key | BGIJPDMVGSTDDJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H15N1O5 |
| Molecular Weight | 361.1 |
| AlogP | 3.55 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 98.85 |
| Heavy Atoms | 27.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 54243-60-6 |
| NORMAN SUSDAT | |
| PubChem | 104712 |
| ChemSpider | 94532.0 |