Base information
| Cat. No. | |
| CAS No. | 1346604-13-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N6O |
| Molecular Weight | 178.151 |
| Exact Mass | 178.06 |
| XLogP3 | -0.2104 |
| Mr | 41.5996 |
| PSA | 102.48 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NC(=O)c1c[nH]nc1n1cnnc1 |
