Base information
| Cat. No. | |
| CAS No. | 650628-54-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9ClN4O |
| Molecular Weight | 260.679 |
| Exact Mass | 260.046 |
| XLogP3 | 2.4775 |
| Mr | 68.162 |
| PSA | 52.83 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)n1ncc2c1ncnc2Cl |
