Base information
| Cat. No. | |
| CAS No. | 107866-54-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6N4O |
| Molecular Weight | 162.149 |
| Exact Mass | 162.054 |
| XLogP3 | 0.4864 |
| Mr | 41.8135 |
| PSA | 60.67 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)n1nnc2c1cccn2 |
