Base information
| Cat. No. | |
| CAS No. | 1057670-48-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8ClN3 |
| Molecular Weight | 157.601 |
| Exact Mass | 157.041 |
| XLogP3 | 1.7895 |
| Mr | 39.7221 |
| PSA | 50.94 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NNCc1ccc(nc1)Cl |
