Base information
| Cat. No. | |
| CAS No. | 54013-18-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6ClN5 |
| Molecular Weight | 195.609 |
| Exact Mass | 195.031 |
| XLogP3 | 1.6835 |
| Mr | 49.0281 |
| PSA | 80.48 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(c(c1)N)c1n[nH]nn1 |
