Base information
| Cat. No. | |
| CAS No. | 21193-80-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H13BrN4O4 |
| Molecular Weight | 345.149 |
| Exact Mass | 344.012 |
| XLogP3 | -0.0313 |
| Mr | 72.5788 |
| PSA | 126.65 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 35 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)Br |
