| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60884929 |
Structure
| InChI Key | NNZDDWHYRFZHLF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H22O2 |
| Molecular Weight | 210.16 |
| AlogP | 3.11 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16695-31-1 |
| NORMAN SUSDAT | |
| PubChem | 86050 |
CONTENTS
