HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(2-Chloro-5-thiadiazolyl)-1-methyl-5-nitroimidazole
Identifiers & Physical Properties
| Molecular formula | C6H6ClN5O2S |
|---|---|
| Average molar mass | 247.66 g/mol |
| SMILES | Cn1c([N+](=O)[O-])cnc1C1=CNN(Cl)S1 |
| InChIKey | XAKKAVOLKNKDQV-UHFFFAOYSA-N |
| PubChem CID | 21390801 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 104 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 308 |