| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | IY8732E0YC |
| EPA CompTox | DTXSID2027254 |
Structure
| InChI Key | XHIUFYZDQBSEMF-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1 |
| AlogP | 1.6 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 624-41-9 |
| NORMAN SUSDAT | |
| FDA SRS | IY8732E0YC |
| ChemSpider | 11709.0 |
CONTENTS
