| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EF5UVE254C |
| EPA CompTox | DTXSID9045976 |
Structure
| InChI Key | NYIZXMGNIUSNKL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H10O6 |
| Molecular Weight | 238.05 |
| AlogP | 1.24 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 89.9 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 486-79-3 |
| NORMAN SUSDAT | |
| FDA SRS | EF5UVE254C |
| PubChem | 68093 |
| ChemSpider | 61404.0 |
CONTENTS
