Base information
| Cat. No. | |
| CAS No. | 54914-53-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H14I3NO4 |
| Molecular Weight | 665 |
| Exact Mass | 664.806 |
| XLogP3 | 4.7414 |
| Mr | 116.511 |
| PSA | 81.78 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 39 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N |
