Base information
| Cat. No. | |
| CAS No. | 457099-42-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5N3 |
| Molecular Weight | 119.124 |
| Exact Mass | 119.048 |
| XLogP3 | 0.6213 |
| Mr | 34.3714 |
| PSA | 51.8 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Nc1cnc(cn1)C#C |
