| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | C405ON563A |
| EPA CompTox | DTXSID50189935 |
Structure
| InChI Key | ZEWJFUNFEABPGL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H4N4O1 |
| Molecular Weight | 112.04 |
| AlogP | -1.1 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 84.66 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3641-08-5 |
| NORMAN SUSDAT | |
| FDA SRS | C405ON563A |
CONTENTS
