Base information
| Cat. No. | |
| CAS No. | 12221-69-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H21BrN6 |
| Molecular Weight | 401.304 |
| Exact Mass | 400.101 |
| XLogP3 | 0.3004 |
| Mr | 105.319 |
| PSA | 49.66 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CN(c1ccc(cc1)/N=N/c1n(C)nc[n+]1C)Cc1ccccc1.[Br-] |
