Base information
| Cat. No. | |
| CAS No. | 80050-87-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9Cl6N3O2 |
| Molecular Weight | 451.947 |
| Exact Mass | 448.883 |
| XLogP3 | 5.2092 |
| Mr | 96.721 |
| PSA | 57.13 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1OC)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
