Base information
| Cat. No. | |
| CAS No. | 1458-16-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6IN3O2 |
| Molecular Weight | 279.035 |
| Exact Mass | 278.95 |
| XLogP3 | 1.0312 |
| Mr | 50.4329 |
| PSA | 78.1 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1nc(I)cnc1N |
