| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MNA54SZ3RD |
| EPA CompTox | DTXSID4068408 |
| InChI Key | HPTIDIPGIUCQFC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H28O2 |
| Molecular Weight | 228.21 |
| AlogP | 4.28 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 42604-12-6 |
| NORMAN SUSDAT | |
| FDA SRS | MNA54SZ3RD |
| PubChem | 162061 |
| ChemSpider | 142330.0 |