| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 49MA683SO6 |
| EPA CompTox | DTXSID2022250 |
Structure
| InChI Key | SHSFXAVQBIEYMK-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O1 |
| Molecular Weight | 112.09 |
| AlogP | 1.17 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7383-19-9 |
| NORMAN SUSDAT | |
| FDA SRS | 49MA683SO6 |
| ChemSpider | 84002.0 |
CONTENTS
