Base information
| Cat. No. | |
| CAS No. | 168893-26-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7N5 |
| Molecular Weight | 185.185 |
| Exact Mass | 185.07 |
| XLogP3 | 1.50678 |
| Mr | 50.9381 |
| PSA | 91.38 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)c1n[nH]c(n1)N |
