| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00860166 |
Structure
| InChI Key | OTKJDMGTUTTYMP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H39NO2 |
| Molecular Weight | 301.3 |
| AlogP | 4.15 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 16.0 |
| Polar Surface Area | 66.48 |
| Heavy Atoms | 21.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13552-09-5 |
| NORMAN SUSDAT |
CONTENTS
