| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4G19C1NH3E |
| EPA CompTox | DTXSID4022105 |
Structure
| InChI Key | AOPDRZXCEAKHHW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H22O1 |
| Molecular Weight | 158.17 |
| AlogP | 3.38 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 693-65-2 |
| NORMAN SUSDAT | |
| FDA SRS | 4G19C1NH3E |
| PubChem | 12743 |
| ChemSpider | 12220.0 |
CONTENTS
