| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8C4PWV79P9 |
| EPA CompTox | DTXSID80193469 |
Structure
| InChI Key | PYEFFBOZWVJKEU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H14O1 |
| Molecular Weight | 174.1 |
| AlogP | 3.16 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40452-70-8 |
| NORMAN SUSDAT | |
| FDA SRS | 8C4PWV79P9 |
| PubChem | 3016187 |
| ChemSpider | 2284181.0 |
CONTENTS
