Base information
| Cat. No. | |
| CAS No. | 112084-93-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9N3O |
| Molecular Weight | 223.23 |
| Exact Mass | 223.075 |
| XLogP3 | 2.27858 |
| Mr | 63.1662 |
| PSA | 65.78 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cccnc1NC(=O)c1ccccc1 |
