| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AF1RPI3V6S |
| EPA CompTox | DTXSID10174463 |
Structure
| InChI Key | MKGFYMKFBCWNCP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.1 |
| AlogP | 2.48 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2049-73-2 |
| NORMAN SUSDAT | |
| FDA SRS | AF1RPI3V6S |
| PubChem | 74899 |
| ChemSpider | 67462.0 |
CONTENTS
