Base information
| Cat. No. | |
| CAS No. | 21034-17-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H15IN2O |
| Molecular Weight | 342.175 |
| Exact Mass | 342.023 |
| XLogP3 | -0.4277 |
| Mr | 80.2027 |
| PSA | 29.05 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C[n+]1c(/C=C/Nc2ccccc2)occ1C.[I-] |
