HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Isonicotinoylhydrazino-5-nitrosotropone
Identifiers & Physical Properties
| CAS No. | 736-26-5 |
|---|---|
| Molecular formula | C13H10N4O3 |
| Average molar mass | 270.24 g/mol |
| Monoisotopic mass | 270.07529019 g/mol |
| SMILES | O=Nc1ccc(NNC(=O)c2ccncc2)c(=O)cc1 |
| InChIKey | MQDAALFMMPMHAN-UHFFFAOYSA-N |
| PubChem CID | 12913 |
| DTXSID | DTXSID50223787 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 101 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 502 |