| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VQ82X62639 |
| EPA CompTox | DTXSID00205770 |
Structure
| InChI Key | HPVRZSQOEHEUKJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1 |
| AlogP | 1.39 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57134-36-8 |
| NORMAN SUSDAT | |
| FDA SRS | VQ82X62639 |
| PubChem | 92679 |
| ChemSpider | 83662.0 |
CONTENTS
