| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UYD9A8BW25 |
| EPA CompTox | DTXSID00194695 |
Structure
| InChI Key | YMOIBQNMVPBEEZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H18O8 |
| Molecular Weight | 362.1 |
| AlogP | 3.37 |
| Hydrogen Bond Acceptor | 8.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 89.52 |
| Heavy Atoms | 26.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 41935-39-1 |
| NORMAN SUSDAT | |
| FDA SRS | UYD9A8BW25 |
| PubChem | 6451800 |
| ChemSpider | 21161280.0 |
CONTENTS
