| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0074716 |
Structure
| InChI Key | LASHFHLFDRTERB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18O1 |
| Molecular Weight | 130.14 |
| AlogP | 2.2 |
| 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 | 58175-57-8 |
| NORMAN SUSDAT | |
| PubChem | 123543 |
| ChemSpider | 110137.0 |
CONTENTS
