Base information
| Cat. No. | |
| CAS No. | 854382-10-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H13N3O |
| Molecular Weight | 239.273 |
| Exact Mass | 239.106 |
| XLogP3 | 2.64698 |
| Mr | 69.2367 |
| PSA | 57.94 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)CNc1ncccc1C#N |
