| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4358WXE988 |
| EPA CompTox | DTXSID80182015 |
Structure
| InChI Key | KUHNCPCUPOPMDY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16O1 |
| Molecular Weight | 188.12 |
| AlogP | 3.55 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 27634-89-5 |
| NORMAN SUSDAT | |
| FDA SRS | 4358WXE988 |
| PubChem | 119689 |
| ChemSpider | 106866.0 |
CONTENTS
