Base information
| Cat. No. | |
| CAS No. | 163042-96-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H18ClIN6O4 |
| Molecular Weight | 544.731 |
| Exact Mass | 544.012 |
| XLogP3 | 1.5255 |
| Mr | 116.436 |
| PSA | 134.42 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 51 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I |
