Base information
| Cat. No. | |
| CAS No. | 4514-54-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8ClN5 |
| Molecular Weight | 221.646 |
| Exact Mass | 221.047 |
| XLogP3 | 2.5188 |
| Mr | 59.0818 |
| PSA | 90.71 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Clc1cccc(c1)c1nc(N)nc(n1)N |
