| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 845J3299E1 |
| EPA CompTox | DTXSID80208946 |
| InChI Key | AHKDJQYHVWSRLT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H8O5 |
| Molecular Weight | 256.04 |
| AlogP | 1.58 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Polar Surface Area | 94.83 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 602-64-2 |
| NORMAN SUSDAT | |
| FDA SRS | 845J3299E1 |
| PubChem | 11768 |
| ChemSpider | 11275.0 |