| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3069013 |
| InChI Key | ITTJRGPCQAAFGL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H16O6 |
| Molecular Weight | 328.09 |
| AlogP | 2.62 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 78.9 |
| Heavy Atoms | 24.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 55334-51-5 |
| NORMAN SUSDAT | |
| PubChem | 108695 |
| ChemSpider | 97737.0 |