| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90948280 |
| InChI Key | QHRQNLXYMFCGPB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H30O5 |
| Molecular Weight | 362.21 |
| AlogP | 3.63 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 91.67 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 25422-83-7 |
| NORMAN SUSDAT | |
| PubChem | 117231 |