| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 04CQ74YVIS |
| EPA CompTox | DTXSID1041920 |
Structure
| InChI Key | OHJYHAOODFPJOD-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H22O2 |
| Molecular Weight | 174.16 |
| AlogP | 2.21 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1559-35-9 |
| NORMAN SUSDAT | |
| FDA SRS | 04CQ74YVIS |
| ChemSpider | 14525.0 |
CONTENTS
