| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8CJX5I27B7 |
| EPA CompTox | DTXSID2061480 |
| InChI Key | AFWKBSMFXWNGRE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.08 |
| AlogP | 2.0 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22214-42-2 |
| NORMAN SUSDAT | |
| FDA SRS | 8CJX5I27B7 |
| PubChem | 14121 |
| ChemSpider | 13498.0 |