| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1UK9W4X7H9 |
| EPA CompTox | DTXSID0060434 |
| InChI Key | MQWCXKGKQLNYQG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O1 |
| Molecular Weight | 114.1 |
| AlogP | 1.56 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 589-91-3 |
| NORMAN SUSDAT | |
| FDA SRS | 1UK9W4X7H9 |
| PubChem | 11524 |
| ChemSpider | 11040.0 |