Base information
| Cat. No. | |
| CAS No. | 276863-95-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11ClN2O |
| Molecular Weight | 246.692 |
| Exact Mass | 246.056 |
| XLogP3 | 3.24128 |
| Mr | 67.6182 |
| PSA | 56.65 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | ClCCCC(=O)c1c[nH]c2c1cc(cc2)C#N |
