| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2NDV3959AX |
| EPA CompTox | DTXSID5041487 |
| InChI Key | RBKRCARRXLFUGJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.18 |
| AlogP | 3.54 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 20780-48-7 |
| NORMAN SUSDAT | |
| FDA SRS | 2NDV3959AX |
| ChemSpider | 80665.0 |