Base information
| Cat. No. | |
| CAS No. | 1214-39-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11N5 |
| Molecular Weight | 225.249 |
| Exact Mass | 225.101 |
| XLogP3 | 2.038 |
| Mr | 65.4764 |
| PSA | 66.49 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 30 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | c1ccc(cc1)CNc1ncnc2c1nc[nH]2 |
