| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P26YX6E7FY |
| EPA CompTox | DTXSID50232410 |
Structure
| InChI Key | CPZRYQJPVUJHOS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H16O1 |
| Molecular Weight | 212.12 |
| AlogP | 2.96 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 835-78-9 |
| NORMAN SUSDAT | |
| FDA SRS | P26YX6E7FY |
| PubChem | 70040 |
| ChemSpider | 63230.0 |
CONTENTS
