Base information
| Cat. No. | |
| CAS No. | 1000341-17-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8IN3O |
| Molecular Weight | 289.073 |
| Exact Mass | 288.971 |
| XLogP3 | 2.3395 |
| Mr | 59.7071 |
| PSA | 63.93 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(N)c2c(c1)[nH]nc2I |
