| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8L0NZD2EIQ |
| EPA CompTox | DTXSID601310541 |
| InChI Key | IYMKNYVCXUEFJE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O1 |
| Molecular Weight | 112.09 |
| AlogP | 1.79 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1821-29-0 |
| NORMAN SUSDAT | |
| FDA SRS | 8L0NZD2EIQ |
| PubChem | 21244 |
| ChemSpider | 19970.0 |