Base information
| Cat. No. | |
| CAS No. | 101396-42-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H25IN2S |
| Molecular Weight | 464.406 |
| Exact Mass | 464.078 |
| XLogP3 | 1.8035 |
| Mr | 124.061 |
| PSA | 28.54 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 53 |
| Ring number | 5 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | C[N+]12CCC(CC1)C(C2)CN1c2ccccc2Sc2c1cccc2.[I-] |
