Base information
| Cat. No. | |
| CAS No. | 166176-45-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5ClN4 |
| Molecular Weight | 168.584 |
| Exact Mass | 168.02 |
| XLogP3 | 1.5461 |
| Mr | 42.4014 |
| PSA | 56.21 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc2n(n1)c(N)cn2 |
