Base information
| Cat. No. | |
| CAS No. | 141505-33-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H12N6O |
| Molecular Weight | 280.285 |
| Exact Mass | 280.107 |
| XLogP3 | 1.19916 |
| Mr | 84.5524 |
| PSA | 113.43 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CC(=NNc1ccc(cc1)C1=NNC(=O)C[C@H]1C)C#N |
