Base information
| Cat. No. | |
| CAS No. | 117-92-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H23IN2 |
| Molecular Weight | 430.325 |
| Exact Mass | 430.091 |
| XLogP3 | 1.3876 |
| Mr | 115.943 |
| PSA | 7.12 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 48 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC[n+]1c(/C=C/c2ccc(cc2)N(C)C)ccc2c1cccc2.[I-] |
