Base information
| Cat. No. | |
| CAS No. | 42333-78-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H12N6 |
| Molecular Weight | 312.328 |
| Exact Mass | 312.112 |
| XLogP3 | 3.0576 |
| Mr | 89.52 |
| PSA | 77.34 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 39 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | n1ccc(cc1)c1nc(nc(n1)c1ccncc1)c1ccncc1 |
