| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WO9VKT87AQ |
| EPA CompTox | DTXSID90217206 |
Structure
| InChI Key | SXRFXXNXVPFXDU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13N1O2 |
| Molecular Weight | 167.09 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 50.09 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6701-15-1 |
| NORMAN SUSDAT | |
| FDA SRS | WO9VKT87AQ |
| PubChem | 81197 |
| ChemSpider | 73257.0 |
CONTENTS
