| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G247D91I97 |
| EPA CompTox | DTXSID7047643 |
Structure
| InChI Key | JMSUNAQVHOHLMX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O1 |
| Molecular Weight | 128.12 |
| AlogP | 1.95 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1193-81-3 |
| NORMAN SUSDAT | |
| FDA SRS | G247D91I97 |
| PubChem | 137829 |
| ChemSpider | 121479.0 |
CONTENTS
