| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Y5EBF8X9L6 |
| EPA CompTox | DTXSID70956560 |
| InChI Key | JRPPVSMCCSLJPL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O1 |
| Molecular Weight | 142.14 |
| AlogP | 2.79 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 35127-50-5 |
| NORMAN SUSDAT | |
| FDA SRS | Y5EBF8X9L6 |
| PubChem | 169665 |
| ChemSpider | 148375.0 |