Base information
| Cat. No. | |
| CAS No. | 154371-51-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H19IN2O2 |
| Molecular Weight | 398.239 |
| Exact Mass | 398.049 |
| XLogP3 | 3.8171 |
| Mr | 91.3595 |
| PSA | 44.12 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CCCCc1nc(c(n1COCc1ccccc1)C=O)I |