| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3K9EJ633GL |
| EPA CompTox | DTXSID9039577 |
Structure
| InChI Key | PAJPWUMXBYXFCZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7N1O2 |
| Molecular Weight | 101.05 |
| AlogP | -0.44 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.32 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22059-21-8 |
| NORMAN SUSDAT | |
| FDA SRS | 3K9EJ633GL |
| PubChem | 535 |
| ChemSpider | 520.0 |
CONTENTS
