Base information
| Cat. No. | |
| CAS No. | 2044706-68-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H8N6 |
| Molecular Weight | 248.243 |
| Exact Mass | 248.081 |
| XLogP3 | 1.80038 |
| Mr | 67.5597 |
| PSA | 91.14 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#Cc1nccc(c1)c1n[nH]c(n1)c1cccnc1 |
