Base information
| Cat. No. | |
| CAS No. | 1260656-58-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H13IN2O3 |
| Molecular Weight | 372.158 |
| Exact Mass | 371.997 |
| XLogP3 | 2.3312 |
| Mr | 78.4645 |
| PSA | 53.35 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)Cn1nc(c(c1)I)C(=O)OC |
