Base information
| Cat. No. | |
| CAS No. | 15420-02-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8N4O |
| Molecular Weight | 224.218 |
| Exact Mass | 224.07 |
| XLogP3 | 2.1936 |
| Mr | 60.76 |
| PSA | 64.7 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | n1ccc(cc1)c1nnc(o1)c1ccncc1 |
