Base information
| Cat. No. | |
| CAS No. | 1168091-68-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H14FIN4O3 |
| Molecular Weight | 456.21 |
| Exact Mass | 456.009 |
| XLogP3 | 2.9392 |
| Mr | 97.4607 |
| PSA | 87.89 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OCCONC(=O)c1ccc2n(c1Nc1ccc(cc1F)I)cnc2 |
