| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Y2O6GB00O9 |
| EPA CompTox | DTXSID70177137 |
| InChI Key | WDIJGRJAKSMZRV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16 |
| Molecular Weight | 172.13 |
| AlogP | 3.95 |
| Number of Rotational Bond | 1.0 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22618-50-4 |
| NORMAN SUSDAT | |
| FDA SRS | Y2O6GB00O9 |
| PubChem | 89774 |
| ChemSpider | 81031.0 |