Base information
| Cat. No. | |
| CAS No. | 54-85-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7N3O |
| Molecular Weight | 137.139 |
| Exact Mass | 137.059 |
| XLogP3 | 0.7763 |
| Mr | 35.1336 |
| PSA | 68.01 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NNC(=O)c1ccncc1 |
