| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4X49Y0596W |
| EPA CompTox | DTXSID6042238 |
Structure
| InChI Key | WCJLCOAEJIHPCW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.16 |
| AlogP | 3.91 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6969-49-9 |
| NORMAN SUSDAT | |
| FDA SRS | 4X49Y0596W |
| PubChem | 62624 |
| ChemSpider | 56380.0 |
CONTENTS
