Base information
| Cat. No. | |
| CAS No. | 118718-59-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H9N3O |
| Molecular Weight | 199.209 |
| Exact Mass | 199.075 |
| XLogP3 | 1.75258 |
| Mr | 54.771 |
| PSA | 50.84 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)n1ncc(c1)C#N |
