Base information
| Cat. No. | |
| CAS No. | 4005-49-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N5O |
| Molecular Weight | 239.233 |
| Exact Mass | 239.081 |
| XLogP3 | 1.6782 |
| Mr | 65.8979 |
| PSA | 83.56 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(c1ccccc1)Nc1ncnc2c1nc[nH]2 |
