| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20162210 |
Structure
| InChI Key | VUNSFNVCZZAWNV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18O1 |
| Molecular Weight | 178.14 |
| AlogP | 3.05 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14289-73-7 |
| NORMAN SUSDAT | |
| PubChem | 84329 |
| ChemSpider | 76072.0 |
CONTENTS
