| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X796XFP7D4 |
| EPA CompTox | DTXSID0044313 |
Structure
| InChI Key | PCWGTDULNUVNBN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14O1 |
| Molecular Weight | 102.1 |
| AlogP | 1.41 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 626-89-1 |
| NORMAN SUSDAT | |
| FDA SRS | X796XFP7D4 |
| PubChem | 12296 |
| ChemSpider | 121949.0 |
CONTENTS
