| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID501264008 |
Structure
| InChI Key | JNWQKXUWZWKUAY-MHOVPGDZSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H18O2 |
| Molecular Weight | 182.13 |
| AlogP | 2.85 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84060-80-0 |
| NORMAN SUSDAT |
CONTENTS
