Base information
| Cat. No. | |
| CAS No. | 135048-32-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6N4O |
| Molecular Weight | 162.149 |
| Exact Mass | 162.054 |
| XLogP3 | 0.64798 |
| Mr | 39.8486 |
| PSA | 91.8 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NNC(=O)c1ccnc(c1)C#N |
