Base information
| Cat. No. | |
| CAS No. | 20013-22-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H17IN2O |
| Molecular Weight | 332.181 |
| Exact Mass | 332.039 |
| XLogP3 | 1.8333 |
| Mr | 78.68 |
| PSA | 25.24 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 34 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1.I |
