Base information
| Cat. No. | |
| CAS No. | 156033-07-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N3O2 |
| Molecular Weight | 227.219 |
| Exact Mass | 227.069 |
| XLogP3 | 1.65048 |
| Mr | 63.3417 |
| PSA | 82.11 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(c2cc[n+](cc2)[O-])c([nH]c1=O)C |
