Base information
| Cat. No. | |
| CAS No. | 40254-90-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7N5 |
| Molecular Weight | 185.185 |
| Exact Mass | 185.07 |
| XLogP3 | 1.6695 |
| Mr | 53.5941 |
| PSA | 80.48 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 23 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Nc1n[nH]c2c1nc1ccccc1n2 |
