Base information
| Cat. No. | |
| CAS No. | 54711-21-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5N5 |
| Molecular Weight | 147.137 |
| Exact Mass | 147.054 |
| XLogP3 | 0.51086 |
| Mr | 37.2291 |
| PSA | 102.28 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CCc1n[nH]c(c1C#N)N |
