| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00873978 |
| InChI Key | VKKFWRYCMZBXIG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H30O2 |
| Molecular Weight | 230.22 |
| AlogP | 3.48 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 10137-98-1 |
| NORMAN SUSDAT | |
| PubChem | 24982 |
| ChemSpider | 23352.0 |