| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50177397 |
| InChI Key | CGNVHKVTWSUAJF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.12 |
| AlogP | 3.3 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 53.99 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22855-36-3 |
| NORMAN SUSDAT | |
| PubChem | 89865 |
| ChemSpider | 81118.0 |