| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | O6F6RCV39P |
| EPA CompTox | DTXSID10200276 |
Structure
| InChI Key | OUJMXIPHUCDRAS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13N1O1 |
| Molecular Weight | 151.1 |
| AlogP | 1.18 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 33.12 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5223-06-3 |
| NORMAN SUSDAT | |
| FDA SRS | O6F6RCV39P |
| PubChem | 78894 |
| ChemSpider | 1584.0 |
CONTENTS
