| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WNN6WV4DK4 |
| EPA CompTox | DTXSID40183987 |
| InChI Key | SMYVNUCSIRQQNT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C28H18N2O4 |
| Molecular Weight | 446.13 |
| AlogP | 5.73 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 99.32 |
| Heavy Atoms | 34.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2987-68-0 |
| NORMAN SUSDAT | |
| FDA SRS | WNN6WV4DK4 |
| PubChem | 72731 |
| ChemSpider | 65570.0 |