Base information
| Cat. No. | |
| CAS No. | 1427393-40-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H7ClN2O |
| Molecular Weight | 218.639 |
| Exact Mass | 218.025 |
| XLogP3 | 2.76848 |
| Mr | 57.96 |
| PSA | 45.91 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc2c(cc1C#N)ccnc2Cl |
