Base information
| Cat. No. | |
| CAS No. | 42573-57-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H9Cl6N3O |
| Molecular Weight | 447.959 |
| Exact Mass | 444.888 |
| XLogP3 | 5.704 |
| Mr | 100.163 |
| PSA | 47.9 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)C=Cc1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
