| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4072869 |
| InChI Key | HLMIVULQFMULRM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H20O1 |
| Molecular Weight | 204.15 |
| AlogP | 3.58 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 80858-47-5 |
| NORMAN SUSDAT | |
| PubChem | 166527 |
| ChemSpider | 145735.0 |