| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W4TNM2H25S |
| EPA CompTox | DTXSID30239841 |
| InChI Key | IJCNAXBBGXNYCC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H22O1 |
| Molecular Weight | 170.17 |
| AlogP | 3.41 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 93892-49-0 |
| NORMAN SUSDAT | |
| FDA SRS | W4TNM2H25S |
| PubChem | 3022780 |
| ChemSpider | 2289195.0 |