| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2F79G7H1WY |
| EPA CompTox | DTXSID2075219 |
Structure
| InChI Key | OAOUTNMJEFWJPO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H18O2 |
| Molecular Weight | 182.13 |
| AlogP | 2.83 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2777-65-3 |
| NORMAN SUSDAT | |
| FDA SRS | 2F79G7H1WY |
| PubChem | 31039 |
| ChemSpider | 28797.0 |
CONTENTS
