| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 38E6XBV79E |
| EPA CompTox | DTXSID10197632 |
| InChI Key | SPLUKWYWJOQKMJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H18O9 |
| Molecular Weight | 402.1 |
| AlogP | 3.09 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 139.59 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 489-49-6 |
| NORMAN SUSDAT | |
| FDA SRS | 38E6XBV79E |
| PubChem | 5464155 |
| ChemSpider | 4576556.0 |