| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ES5WQ31089 |
| EPA CompTox | DTXSID1075430 |
| InChI Key | MURGITYSBWUQTI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H14O5 |
| Molecular Weight | 334.08 |
| AlogP | 4.08 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 86.99 |
| Heavy Atoms | 25.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 518-44-5 |
| NORMAN SUSDAT | |
| FDA SRS | ES5WQ31089 |
| PubChem | 68205 |
| ChemSpider | 61512.0 |