| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XQ1WLB600M |
| EPA CompTox | DTXSID601043546 |
Structure
| InChI Key | AQFCDVGUEQOTAC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H14O1 |
| Molecular Weight | 150.1 |
| AlogP | 2.52 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 876-20-0 |
| NORMAN SUSDAT | |
| FDA SRS | XQ1WLB600M |
| PubChem | 33658 |
| ChemSpider | 31042.0 |
CONTENTS
