Base information
| Cat. No. | |
| CAS No. | 717818-05-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6N4O2 |
| Molecular Weight | 178.148 |
| Exact Mass | 178.049 |
| XLogP3 | 0.20918 |
| Mr | 44.277 |
| PSA | 125.76 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(C(=O)N)c([nH]c1=O)N |
