Base information
| Cat. No. | |
| CAS No. | 1239-45-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H20BrN3 |
| Molecular Weight | 394.308 |
| Exact Mass | 393.084 |
| XLogP3 | 2.2982 |
| Mr | 113.024 |
| PSA | 55.92 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 47 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2.[Br-] |
