| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5HZ7613II2 |
| EPA CompTox | DTXSID60870640 |
Structure
| InChI Key | WOFPPJOZXUTRAU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18O |
| Molecular Weight | 130.14 |
| AlogP | 2.34 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 589-62-8 |
| NORMAN SUSDAT | |
| FDA SRS | 5HZ7613II2 |
| PubChem | 11515 |
CONTENTS
