| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50234232 |
| InChI Key | YBPOUYKRSJRDEC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H16O9 |
| Molecular Weight | 352.08 |
| AlogP | 1.21 |
| Hydrogen Bond Acceptor | 9.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 122.27 |
| Heavy Atoms | 25.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 85117-87-9 |
| NORMAN SUSDAT | |
| PubChem | 97308 |
| ChemSpider | 87832.0 |