| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R9B2WH0KBL |
| EPA CompTox | DTXSID4051536 |
| InChI Key | LTFTWJYRQNTCHI-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10O1 |
| Molecular Weight | 98.07 |
| AlogP | 0.78 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 7.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 105-31-7 |
| NORMAN SUSDAT | |
| FDA SRS | R9B2WH0KBL |
| ChemSpider | 7460.0 |