| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DNK8V9C32D |
| EPA CompTox | DTXSID90240610 |
| InChI Key | MYYKTKYFWDMXSC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C28H21N3O6 |
| Molecular Weight | 495.14 |
| AlogP | 5.48 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 143.47 |
| Heavy Atoms | 37.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94109-29-2 |
| NORMAN SUSDAT | |
| FDA SRS | DNK8V9C32D |
| PubChem | 3023597 |
| ChemSpider | 2289745.0 |