Base information
| Cat. No. | |
| CAS No. | 42754-82-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H8N4O2 |
| Molecular Weight | 228.207 |
| Exact Mass | 228.065 |
| XLogP3 | 0.6065 |
| Mr | 62.7711 |
| PSA | 94.4 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]c(=O)c2c([nH]1)[nH]nc2c1ccccc1 |
