Base information
| Cat. No. | |
| CAS No. | 685522-76-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6IN3 |
| Molecular Weight | 259.047 |
| Exact Mass | 258.961 |
| XLogP3 | 1.5729 |
| Mr | 51.507 |
| PSA | 30.71 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cn1nc(c2c1nccc2)I |
