| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M3SLJ97BU6 |
| EPA CompTox | DTXSID4060604 |
Structure
| InChI Key | XMUZQOKACOLCSS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.07 |
| AlogP | 0.67 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 612-14-6 |
| NORMAN SUSDAT | |
| FDA SRS | M3SLJ97BU6 |
| PubChem | 69153 |
| ChemSpider | 62368.0 |
CONTENTS
