| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QFG37BUS5X |
| EPA CompTox | DTXSID40169185 |
| InChI Key | LQJFTZJNDJDCKV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H22O9 |
| Molecular Weight | 406.13 |
| AlogP | 2.74 |
| Hydrogen Bond Acceptor | 9.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 98.75 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1719-88-6 |
| NORMAN SUSDAT | |
| FDA SRS | QFG37BUS5X |
| PubChem | 74398 |
| ChemSpider | 66990.0 |