| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N948SW87NY |
| EPA CompTox | DTXSID80219875 |
| InChI Key | FHADSMKORVFYOS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O1 |
| Molecular Weight | 128.12 |
| AlogP | 2.09 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 696-71-9 |
| NORMAN SUSDAT | |
| FDA SRS | N948SW87NY |
| PubChem | 12766 |
| ChemSpider | 12241.0 |