Base information
| Cat. No. | |
| CAS No. | 28004-62-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6ClN3S |
| Molecular Weight | 211.671 |
| Exact Mass | 210.997 |
| XLogP3 | 3.0219 |
| Mr | 54.7594 |
| PSA | 80.04 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(cc1)c1nnc(s1)N |
