Base information
| Cat. No. | |
| CAS No. | 6034-68-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7N5O |
| Molecular Weight | 177.163 |
| Exact Mass | 177.065 |
| XLogP3 | 0.3843 |
| Mr | 45.9964 |
| PSA | 83.56 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Nc1ncnc2c1nc[nH]2 |
