| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 68FC4UEX7L |
| EPA CompTox | DTXSID5060805 |
Structure
| InChI Key | XSJVWZAETSBXKU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12O1 |
| Molecular Weight | 88.09 |
| AlogP | 1.43 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 625-54-7 |
| NORMAN SUSDAT | |
| FDA SRS | 68FC4UEX7L |
| PubChem | 12256 |
| ChemSpider | 11754.0 |
CONTENTS
