| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S0HE9GRS1W |
| EPA CompTox | DTXSID00184713 |
Structure
| InChI Key | OVFMRFMJVFDSAA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19 |
| AlogP | 4.08 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 30673-60-0 |
| NORMAN SUSDAT | |
| FDA SRS | S0HE9GRS1W |
| PubChem | 121739 |
| ChemSpider | 108621.0 |
CONTENTS
