| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00332757 |
Structure
| InChI Key | BUWQOPHMYRXMLL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H22O5 |
| Molecular Weight | 354.15 |
| AlogP | 4.02 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 53.99 |
| Heavy Atoms | 26.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 38552-39-5 |
| NORMAN SUSDAT | |
| PubChem | 463904 |
| ChemSpider | 1155046.0 |
CONTENTS
