Base information
| Cat. No. | |
| CAS No. | 78415-72-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.219 |
| Exact Mass | 211.075 |
| XLogP3 | 1.61698 |
| Mr | 59.9747 |
| PSA | 69.54 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(c2ccncc2)c([nH]c1=O)C |
