| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T9P7UVI3QY |
| EPA CompTox | DTXSID40172179 |
Structure
| InChI Key | NYLOEXLAXYHOHH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H14O1 |
| Molecular Weight | 198.1 |
| AlogP | 2.81 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1883-32-5 |
| NORMAN SUSDAT | |
| FDA SRS | T9P7UVI3QY |
| PubChem | 74662 |
| ChemSpider | 67237.0 |
CONTENTS
