Base information
| Cat. No. | |
| CAS No. | 156333-97-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H17IN2 |
| Molecular Weight | 316.181 |
| Exact Mass | 316.044 |
| XLogP3 | 1.9144 |
| Mr | 79.668 |
| PSA | 6.48 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CN1CCN(CC1)Cc1ccccc1I |
