Base information
| Cat. No. | |
| CAS No. | 144978-82-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H8N4O |
| Molecular Weight | 236.229 |
| Exact Mass | 236.07 |
| XLogP3 | 2.25944 |
| Mr | 64.0714 |
| PSA | 117.62 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CC(=Cc1ccc(cc1)O)C(=C(C#N)C#N)N |
