| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QK441L7HUM |
| EPA CompTox | DTXSID80864945 |
| InChI Key | WNJBUWVXSNLWEQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.07 |
| AlogP | 1.29 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 20474-93-5 |
| NORMAN SUSDAT | |
| FDA SRS | QK441L7HUM |
| PubChem | 227240 |