Base information
| Cat. No. | |
| CAS No. | 12235-96-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H20BrN7O7 |
| Molecular Weight | 550.319 |
| Exact Mass | 549.061 |
| XLogP3 | 5.47968 |
| Mr | 132.747 |
| PSA | 201.95 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 56 |
| Ring number | 2 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | OCCN(c1cc(NC(=O)C)c(cc1OC)/N=N/c1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CCC#N |
