| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J85U4SDI1I |
| EPA CompTox | DTXSID9041819 |
| InChI Key | YWJHQHJWHJRTAB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H20O1 |
| Molecular Weight | 168.15 |
| AlogP | 3.16 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14576-08-0 |
| NORMAN SUSDAT | |
| FDA SRS | J85U4SDI1I |
| PubChem | 85755 |
| ChemSpider | 77346.0 |