| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5FNP361AO4 |
| EPA CompTox | DTXSID00184157 |
Structure
| InChI Key | PQAOFUQAZBGCQK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.12 |
| AlogP | 2.24 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 30076-98-3 |
| NORMAN SUSDAT | |
| FDA SRS | 5FNP361AO4 |
| PubChem | 95979 |
| ChemSpider | 86647.0 |
CONTENTS
