Base information
| Cat. No. | |
| CAS No. | 137225-09-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11N3O |
| Molecular Weight | 225.246 |
| Exact Mass | 225.09 |
| XLogP3 | 2.77848 |
| Mr | 64.9877 |
| PSA | 57.94 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)Nc1nccc(c1)C#N |
