| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4G3BKY7JKQ |
| EPA CompTox | DTXSID70162967 |
Structure
| InChI Key | LISKAOIANGDBTB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N1O1 |
| Molecular Weight | 123.07 |
| AlogP | 1.48 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 22.12 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14529-53-4 |
| NORMAN SUSDAT | |
| FDA SRS | 4G3BKY7JKQ |
| PubChem | 84499 |
| ChemSpider | 76226.0 |
CONTENTS
