| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30178706 |
| InChI Key | NWIMPGMAVYLECN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H14O3 |
| Molecular Weight | 230.09 |
| AlogP | 2.56 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 23981-48-8 |
| NORMAN SUSDAT | |
| PubChem | 90324 |
| ChemSpider | 1262.0 |