| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8NFQ3F76WR |
| EPA CompTox | DTXSID1022398 |
| InChI Key | YXOLAZRVSSWPPT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H10O7 |
| Molecular Weight | 302.04 |
| AlogP | 1.99 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 131.36 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 480-16-0 |
| NORMAN SUSDAT | |
| FDA SRS | 8NFQ3F76WR |
| PubChem | 5281670 |
| ChemSpider | 70572.0 |