| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5V2FN5AA3W |
| EPA CompTox | DTXSID3052359 |
| InChI Key | JFTSYAALCNQOKO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18O1 |
| Molecular Weight | 190.14 |
| AlogP | 3.02 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67634-15-5 |
| NORMAN SUSDAT | |
| FDA SRS | 5V2FN5AA3W |
| PubChem | 105513 |
| ChemSpider | 95151.0 |