Base information
| Cat. No. | |
| CAS No. | 170245-18-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5N3 |
| Molecular Weight | 119.124 |
| Exact Mass | 119.048 |
| XLogP3 | 0.9579 |
| Mr | 33.8887 |
| PSA | 41.57 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 15 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | c1cnc2c(c1)nc[nH]2 |
