| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DK5Q534WEE |
| EPA CompTox | DTXSID4040476 |
Structure
| InChI Key | DMYHGDXADUDKCQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H22N2O1 |
| Molecular Weight | 306.17 |
| AlogP | 4.55 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.01 |
| Heavy Atoms | 23.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 120928-09-8 |
| NORMAN SUSDAT | |
| FDA SRS | DK5Q534WEE |
| PubChem | 86356 |
| ChemSpider | 77874.0 |
CONTENTS
