Base information
| Cat. No. | |
| CAS No. | 1426072-29-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8N6O2 |
| Molecular Weight | 232.199 |
| Exact Mass | 232.071 |
| XLogP3 | -0.4333 |
| Mr | 53.9478 |
| PSA | 106.68 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C1CCc2c1cnc(n2)n1cnnn1 |
