Base information
| Cat. No. | |
| CAS No. | 58835-79-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8N2O |
| Molecular Weight | 196.205 |
| Exact Mass | 196.064 |
| XLogP3 | 2.74558 |
| Mr | 55.468 |
| PSA | 45.91 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)Oc1cccnc1 |
