| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 527QE7I5CO |
| EPA CompTox | DTXSID3058793 |
Structure
| InChI Key | IVDFJHOHABJVEH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O2 |
| Molecular Weight | 118.1 |
| AlogP | 0.53 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 76-09-5 |
| NORMAN SUSDAT | |
| FDA SRS | 527QE7I5CO |
| PubChem | 6425 |
| ChemSpider | 21109330.0 |
CONTENTS
