| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8NA53C271Z |
| EPA CompTox | DTXSID80199860 |
Structure
| InChI Key | YJRLSCDUYLRBIZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H16O7 |
| Molecular Weight | 332.09 |
| AlogP | 2.14 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 113.29 |
| Heavy Atoms | 24.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 519-57-3 |
| NORMAN SUSDAT | |
| FDA SRS | 8NA53C271Z |
| PubChem | 160505 |
| ChemSpider | 141044.0 |
CONTENTS
