Base information
| Cat. No. | |
| CAS No. | 168893-66-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6ClN3O |
| Molecular Weight | 171.584 |
| Exact Mass | 171.02 |
| XLogP3 | 1.4297 |
| Mr | 40.1436 |
| PSA | 68.01 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NNC(=O)c1ccc(nc1)Cl |
