Base information
| Cat. No. | |
| CAS No. | 108295-45-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H11N3O |
| Molecular Weight | 261.278 |
| Exact Mass | 261.09 |
| XLogP3 | 3.0181 |
| Mr | 76.0865 |
| PSA | 55.74 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 33 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cc(nc(c1)c1ccccn1)c1ccccn1 |
