Base information
| Cat. No. | |
| CAS No. | 117678-98-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H13N3O |
| Molecular Weight | 335.358 |
| Exact Mass | 335.106 |
| XLogP3 | 3.58584 |
| Mr | 95.5718 |
| PSA | 91.6 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)(c1ccc(cc1)C#N)O |
