| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JMA5THP22N |
| EPA CompTox | DTXSID30219365 |
| InChI Key | ZRKHWLRSNPTLPH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H20O8 |
| Molecular Weight | 400.12 |
| AlogP | 3.59 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 115.43 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 69306-85-0 |
| NORMAN SUSDAT | |
| FDA SRS | JMA5THP22N |
| PubChem | 5384810 |
| ChemSpider | 4532054.0 |