| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 47NV8B3PAE |
| EPA CompTox | DTXSID20176953 |
Structure
| InChI Key | MNLKGWIYXCKWBU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.12 |
| AlogP | 2.93 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2243-32-5 |
| NORMAN SUSDAT | |
| FDA SRS | 47NV8B3PAE |
| PubChem | 75236 |
| ChemSpider | 67781.0 |
CONTENTS
