Base information
| Cat. No. | |
| CAS No. | 173459-03-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H10ClN3O |
| Molecular Weight | 259.691 |
| Exact Mass | 259.051 |
| XLogP3 | 3.2869 |
| Mr | 70.8267 |
| PSA | 50.8 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 30 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)c1cc2c([nH]1)ncnc2Cl |
