Base information
| Cat. No. | |
| CAS No. | 577778-82-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H8N6O |
| Molecular Weight | 264.242 |
| Exact Mass | 264.076 |
| XLogP3 | 1.83388 |
| Mr | 70.9267 |
| PSA | 103.71 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 30 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#Cc1nccc(c1)c1[nH]nc(n1)c1cc[n+](cc1)[O-] |
