| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50157194 |
Structure
| InChI Key | WXPWPYISTQCNDP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O1 |
| Molecular Weight | 128.12 |
| AlogP | 2.12 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13175-44-5 |
| NORMAN SUSDAT | |
| PubChem | 83203 |
| ChemSpider | 75069.0 |
CONTENTS
