Base information
| Cat. No. | |
| CAS No. | 1234015-54-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H20ClN7O2 |
| Molecular Weight | 401.85 |
| Exact Mass | 401.137 |
| XLogP3 | 3.79348 |
| Mr | 106.143 |
| PSA | 134.76 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 49 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | NCCCOc1cccc(c1c1[nH]nc(c1)Nc1cnc(cn1)C#N)OC.Cl |
