Base information
| Cat. No. | |
| CAS No. | 1229457-94-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12IN3 |
| Molecular Weight | 277.105 |
| Exact Mass | 277.008 |
| XLogP3 | 1.741 |
| Mr | 60.0367 |
| PSA | 29.85 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Ic1cnn(c1)C1CCNCC1 |
