| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G58E17X7VE |
| EPA CompTox | DTXSID1044859 |
| InChI Key | QQGYZOYWNCKGEK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H6O7 |
| Molecular Weight | 310.01 |
| AlogP | 2.1 |
| Hydrogen Bond Acceptor | 7.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 95.97 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1823-59-2 |
| NORMAN SUSDAT | |
| FDA SRS | G58E17X7VE |
| PubChem | 74574 |
| ChemSpider | 67152.0 |