Base information
| Cat. No. | |
| CAS No. | 127786-29-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16BrN3 |
| Molecular Weight | 330.222 |
| Exact Mass | 329.053 |
| XLogP3 | 3.6258 |
| Mr | 93.5324 |
| PSA | 41.62 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 38 |
| Ring number | 4 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | NC1=NCC2N1c1ccccc1Cc1c2cccc1.Br |
