Base information
| Cat. No. | |
| CAS No. | 158042-39-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16IN3O5 |
| Molecular Weight | 457.22 |
| Exact Mass | 457.013 |
| XLogP3 | 0.8139 |
| Mr | 97.2128 |
| PSA | 113.68 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 43 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(nc1=O)NC(=O)c1ccccc1 |
