Base information
| Cat. No. | |
| CAS No. | 21324-31-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H9N5O |
| Molecular Weight | 227.222 |
| Exact Mass | 227.081 |
| XLogP3 | 0.5629 |
| Mr | 61.6927 |
| PSA | 76.46 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 28 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]cnc2c1nnn2Cc1ccccc1 |
