| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G02H8871NA |
| EPA CompTox | DTXSID40149765 |
| InChI Key | IFOGOHVJHKKYCT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19 |
| AlogP | 4.08 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1119-06-8 |
| NORMAN SUSDAT | |
| FDA SRS | G02H8871NA |
| PubChem | 517970 |
| ChemSpider | 451920.0 |