Base information
| Cat. No. | |
| CAS No. | 193614-99-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6N12 |
| Molecular Weight | 282.224 |
| Exact Mass | 282.084 |
| XLogP3 | -0.7731 |
| Mr | 65.9571 |
| PSA | 163.38 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 30 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | n1nnc([nH]1)c1cc(cc(c1)c1nnn[nH]1)c1nnn[nH]1 |
