Base information
| Cat. No. | |
| CAS No. | 1256584-80-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H17IN2O |
| Molecular Weight | 440.277 |
| Exact Mass | 440.039 |
| XLogP3 | 5.07688 |
| Mr | 107.886 |
| PSA | 56.65 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 45 |
| Ring number | 4 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc2c(c1)[nH]c1c2C(=O)c2c(C1(C)C)cc(c(c2)CC)I |
