| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3AE8SS5B76 |
| EPA CompTox | DTXSID70196343 |
Structure
| InChI Key | IKFGSOJYHVTNDV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.12 |
| AlogP | 3.86 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4495-66-3 |
| NORMAN SUSDAT | |
| FDA SRS | 3AE8SS5B76 |
| PubChem | 78246 |
| ChemSpider | 70620.0 |
CONTENTS
