Base information
| Cat. No. | |
| CAS No. | 48180-65-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8N6O |
| Molecular Weight | 252.232 |
| Exact Mass | 252.076 |
| XLogP3 | 4.26802 |
| Mr | 64.034 |
| PSA | 108.73 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | [N-]=[N+]=Nc1ccc(cc1)Oc1ccc(cc1)N=[N+]=[N-] |
