| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MUV6GV10SL |
| EPA CompTox | DTXSID00862145 |
| InChI Key | JESIHYIJKKUWIS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O1 |
| Molecular Weight | 136.09 |
| AlogP | 2.05 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 536-50-5 |
| NORMAN SUSDAT | |
| FDA SRS | MUV6GV10SL |
| PubChem | 10817 |
| ChemSpider | 21105886.0 |