| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P74P5JKU2T |
| EPA CompTox | DTXSID40200209 |
| InChI Key | BYZWKIOOOBNGRO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.13 |
| AlogP | 3.05 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 52179-09-6 |
| NORMAN SUSDAT | |
| FDA SRS | P74P5JKU2T |
| PubChem | 104107 |
| ChemSpider | 93992.0 |