| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7074614 |
| InChI Key | DFCPUQBIQUKULF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C25H21N1O6 |
| Molecular Weight | 431.14 |
| AlogP | 3.96 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 115.92 |
| Heavy Atoms | 32.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 16472-09-6 |
| NORMAN SUSDAT | |
| PubChem | 85441 |
| ChemSpider | 77055.0 |