| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | I56GWI2QQ5 |
| EPA CompTox | DTXSID0060771 |
Structure
| InChI Key | MSMGXWFHBSCQFB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5N1O2 |
| Molecular Weight | 99.03 |
| AlogP | 0.07 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 50.09 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 623-49-4 |
| NORMAN SUSDAT | |
| FDA SRS | I56GWI2QQ5 |
| PubChem | 69336 |
| ChemSpider | 8525.0 |
CONTENTS
