Base information
| Cat. No. | |
| CAS No. | 4231-68-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.161 |
| Exact Mass | 161.059 |
| XLogP3 | 0.5606 |
| Mr | 44.1847 |
| PSA | 50.68 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=c1ncn([nH]1)c1ccccc1 |
