| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2ES4SC99EC |
| EPA CompTox | DTXSID4070118 |
Structure
| InChI Key | RZFNPHWOOGJMQE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H19N1 |
| Molecular Weight | 225.15 |
| AlogP | 4.56 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 12.03 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 64653-59-4 |
| NORMAN SUSDAT | |
| FDA SRS | 2ES4SC99EC |
| PubChem | 116649 |
| ChemSpider | 104276.0 |
CONTENTS
