| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9SOB9E3987 |
| EPA CompTox | DTXSID8022450 |
| InChI Key | CXQWRCVTCMQVQX-LSDHHAIUSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H12O7 |
| Molecular Weight | 304.06 |
| AlogP | 1.19 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 127.45 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 480-18-2 |
| NORMAN SUSDAT | |
| FDA SRS | 9SOB9E3987 |
| PubChem | 439533 |
| ChemSpider | 621332.0 |