| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JR17826E4G |
| EPA CompTox | DTXSID10223001 |
Structure
| InChI Key | SOECUQMRSRVZQQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.12 |
| AlogP | 2.32 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 727-81-1 |
| NORMAN SUSDAT | |
| FDA SRS | JR17826E4G |
| PubChem | 4462 |
| ChemSpider | 4307.0 |
CONTENTS
