| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | LGY9XYH83V |
| EPA CompTox | DTXSID0063361 |
Structure
| InChI Key | GZWLFCGQNCRLIN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.1 |
| AlogP | 2.82 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4218-87-5 |
| NORMAN SUSDAT | |
| FDA SRS | LGY9XYH83V |
| PubChem | 77894 |
| ChemSpider | 70286.0 |
CONTENTS
