Base information
| Cat. No. | |
| CAS No. | 1227267-13-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11IN2O3S |
| Molecular Weight | 414.218 |
| Exact Mass | 413.954 |
| XLogP3 | 3.9673 |
| Mr | 88.012 |
| PSA | 69.57 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 34 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cnc2c(c1)cc(n2S(=O)(=O)c1ccccc1)I |
