| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T0AO9E93RH |
| EPA CompTox | DTXSID8061509 |
Structure
| InChI Key | JGEGJYXHCFUMJF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O1 |
| Molecular Weight | 100.09 |
| AlogP | 1.62 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1119-16-0 |
| NORMAN SUSDAT | |
| FDA SRS | T0AO9E93RH |
| PubChem | 129 |
| ChemSpider | 126.0 |
CONTENTS
