| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J8GB7MQJ8S |
| EPA CompTox | DTXSID20164875 |
Structure
| InChI Key | JHEKSKQMOBLXQS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14O1 |
| Molecular Weight | 162.1 |
| AlogP | 3.05 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1518-84-9 |
| NORMAN SUSDAT | |
| FDA SRS | J8GB7MQJ8S |
| PubChem | 80285 |
| ChemSpider | 72526.0 |
CONTENTS
