Base information
| Cat. No. | |
| CAS No. | 166672-22-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.219 |
| Exact Mass | 211.075 |
| XLogP3 | 1.92728 |
| Mr | 57.726 |
| PSA | 58.8 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ncc(cn1)OCc1ccccc1 |
