| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8070627 |
| InChI Key | YNIKZBLWNYWZRB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H12O6 |
| Molecular Weight | 312.06 |
| AlogP | 2.52 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 82.81 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67801-59-6 |
| NORMAN SUSDAT | |
| PubChem | 105661 |
| ChemSpider | 95246.0 |