| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MH827WPN5X |
| EPA CompTox | DTXSID20179060 |
Structure
| InChI Key | PUXJRQHDLYGOCY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.1 |
| AlogP | 3.06 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24318-43-2 |
| NORMAN SUSDAT | |
| FDA SRS | MH827WPN5X |
| PubChem | 90465 |
| ChemSpider | 81678.0 |
CONTENTS
