| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8066391 |
| InChI Key | JBUBYUZDOUATKW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H13N1O5 |
| Molecular Weight | 347.08 |
| AlogP | 3.25 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 109.85 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 18622-13-4 |
| NORMAN SUSDAT | |
| PubChem | 87728 |
| ChemSpider | 79146.0 |