| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7MLK3JCX3W |
| EPA CompTox | DTXSID10197753 |
Structure
| InChI Key | LJVQHXICFCZRJN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H3N3O2 |
| Molecular Weight | 113.02 |
| AlogP | -0.5 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 78.87 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4928-87-4 |
| NORMAN SUSDAT | |
| FDA SRS | 7MLK3JCX3W |
| PubChem | 295900 |
| ChemSpider | 261154.0 |
CONTENTS
