Base information
| Cat. No. | |
| CAS No. | 1226-52-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11N7O |
| Molecular Weight | 269.262 |
| Exact Mass | 269.103 |
| XLogP3 | 2.2826 |
| Mr | 75.8002 |
| PSA | 149.85 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 33 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc(cc1)c1nc2c(N)nc(nc2nc1N)N |
