Base information
| Cat. No. | |
| CAS No. | 31251-54-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H10ClNO |
| Molecular Weight | 231.678 |
| Exact Mass | 231.045 |
| XLogP3 | 3.1604 |
| Mr | 63.9285 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(cc1)CC(=O)c1cccnc1 |
