Base information
| Cat. No. | |
| CAS No. | 77779-60-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H11N3O |
| Molecular Weight | 261.278 |
| Exact Mass | 261.09 |
| XLogP3 | 2.8186 |
| Mr | 78.3127 |
| PSA | 50.68 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 34 |
| Ring number | 4 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=c1n(nc2-c1c[nH]c1c2cccc1)c1ccccc1 |
