| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90195479 |
| InChI Key | NBYNVBRXIUUSIG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H14O3 |
| Molecular Weight | 302.09 |
| AlogP | 4.28 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 54.37 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 42797-18-2 |
| NORMAN SUSDAT | |
| PubChem | 39302 |
| ChemSpider | 35951.0 |