| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6TD35V6OLU |
| EPA CompTox | DTXSID401031181 |
Structure
| InChI Key | XMVQWNRDPAAMJB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H32O2 |
| Molecular Weight | 280.24 |
| AlogP | 5.72 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29106-32-9 |
| NORMAN SUSDAT | |
| FDA SRS | 6TD35V6OLU |
| PubChem | 72853 |
CONTENTS
