Base information
| Cat. No. | |
| CAS No. | 116450-83-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H11N3O2 |
| Molecular Weight | 277.277 |
| Exact Mass | 277.085 |
| XLogP3 | 3.99268 |
| Mr | 81.224 |
| PSA | 74.54 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 34 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)Cn1ccc2c1cc(cc2)[N+](=O)[O-] |
