| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3069063 |
| InChI Key | XTWMLXVGQRVEMQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C33H21N1O3 |
| Molecular Weight | 479.15 |
| AlogP | 7.1 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 63.24 |
| Heavy Atoms | 37.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 55879-93-1 |
| NORMAN SUSDAT | |
| PubChem | 91913 |
| ChemSpider | 82993.0 |