| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | K94216221B |
| EPA CompTox | DTXSID00207794 |
Structure
| InChI Key | ISBUYSPRIJRBKX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H16N2O2 |
| Molecular Weight | 268.12 |
| AlogP | 2.83 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 41.9 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59040-30-1 |
| NORMAN SUSDAT | |
| FDA SRS | K94216221B |
| PubChem | 42923 |
| ChemSpider | 39138.0 |
CONTENTS
