Base information
| Cat. No. | |
| CAS No. | 578737-93-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14IN3 |
| Molecular Weight | 339.175 |
| Exact Mass | 339.023 |
| XLogP3 | 3.2897 |
| Mr | 81.704 |
| PSA | 29.02 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 33 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Ic1ccc2c(c1)c(ncn2)N1CCCCC1 |
