Base information
| Cat. No. | |
| CAS No. | 52001-11-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H16IN3 |
| Molecular Weight | 365.212 |
| Exact Mass | 365.039 |
| XLogP3 | -0.6485 |
| Mr | 86.6944 |
| PSA | 35.46 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 36 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C[n+]1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1.[I-] |
