Base information
| Cat. No. | |
| CAS No. | 161154-16-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4ClN5O |
| Molecular Weight | 221.603 |
| Exact Mass | 221.01 |
| XLogP3 | 0.6192 |
| Mr | 53.9187 |
| PSA | 75.94 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 21 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc2c(c1)[nH]c(=O)c1n2nnn1 |
