| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9067855 |
| InChI Key | JFWRJKSJBUGSLG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C28H17N3O4 |
| Molecular Weight | 459.12 |
| AlogP | 4.15 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 132.35 |
| Heavy Atoms | 35.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 34560-30-0 |
| NORMAN SUSDAT | |
| PubChem | 118701 |
| ChemSpider | 106075.0 |