| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KJB3VO906F |
| EPA CompTox | DTXSID0047244 |
| InChI Key | CLYAQFSQLQTVNO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O1 |
| Molecular Weight | 142.14 |
| AlogP | 2.34 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1124-63-6 |
| NORMAN SUSDAT | |
| FDA SRS | KJB3VO906F |
| PubChem | 70763 |
| ChemSpider | 63928.0 |