| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5MJ1D14W7W |
| EPA CompTox | DTXSID2068715 |
| InChI Key | DAMITWKYTRCTAO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O1 |
| Molecular Weight | 176.12 |
| AlogP | 3.01 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 52191-01-2 |
| NORMAN SUSDAT | |
| FDA SRS | 5MJ1D14W7W |
| PubChem | 104114 |
| ChemSpider | 93996.0 |