Base information
| Cat. No. | |
| CAS No. | 4102-53-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10IN |
| Molecular Weight | 247.076 |
| Exact Mass | 246.986 |
| XLogP3 | 3.0714 |
| Mr | 53.4954 |
| PSA | 26.02 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Ic1cc(C)c(c(c1)C)N |
