| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | F3JC7ZP11A |
| EPA CompTox | DTXSID7022257 |
Structure
| InChI Key | PKNAATJMQOUREZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.09 |
| AlogP | 1.92 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13909-73-4 |
| NORMAN SUSDAT | |
| FDA SRS | F3JC7ZP11A |
| PubChem | 83810 |
| ChemSpider | 21106530.0 |
CONTENTS
