| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WW2WN82BTR |
| EPA CompTox | DTXSID90233582 |
| InChI Key | NBNZUDHERZHGTE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.11 |
| AlogP | 2.52 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84604-41-1 |
| NORMAN SUSDAT | |
| FDA SRS | WW2WN82BTR |
| PubChem | 95847 |
| ChemSpider | 86525.0 |