| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AG5F4XJK7L |
| EPA CompTox | DTXSID50212898 |
Structure
| InChI Key | QVEIFJBUBJUUMB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H14O8 |
| Molecular Weight | 310.07 |
| AlogP | 0.83 |
| Hydrogen Bond Acceptor | 8.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 105.2 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 635-10-9 |
| NORMAN SUSDAT | |
| FDA SRS | AG5F4XJK7L |
| PubChem | 69455 |
| ChemSpider | 62662.0 |
CONTENTS
