| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 60PZB594QD |
| EPA CompTox | DTXSID60218306 |
| InChI Key | ARVGGOVEVYSUPQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08 |
| AlogP | 0.59 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68113-55-3 |
| NORMAN SUSDAT | |
| FDA SRS | 60PZB594QD |
| PubChem | 13294594 |
| ChemSpider | 14321769.0 |