Base information
| Cat. No. | |
| CAS No. | 1190309-87-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6IN3 |
| Molecular Weight | 259.047 |
| Exact Mass | 258.961 |
| XLogP3 | 2.3309 |
| Mr | 53.2151 |
| PSA | 54.7 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Nc1cnc2c(c1)c(I)c[nH]2 |
