Base information
| Cat. No. | |
| CAS No. | 1282516-44-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11IN2O3 |
| Molecular Weight | 370.143 |
| Exact Mass | 369.981 |
| XLogP3 | 2.3337 |
| Mr | 77.2995 |
| PSA | 53.35 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 32 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc2c(-c3nc(cn3CCO2)I)c1 |
