| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | 8J337D1HZY |
| EPA CompTox | DTXSID4044456 |
Structure
| InChI Key | OPTASPLRGRRNAP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5N3O |
| Molecular Weight | 111.1 |
| AlogP | -0.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 71.77 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 71-30-7 |
| ChEBI | 16040 |
| ChEMBL | CHEMBL15913 |
| FDA SRS | 8J337D1HZY |
| Human Metabolome Database | HMDB0000630 |
| Guide to Pharmacology | 8490 |
| KEGG | C00380 |
| PDB | CYT |
| PubChem | 597 |
| SureChEMBL | SCHEMBL4059 |
| ZINC | ZINC000000895210 |
CONTENTS
