Base information
| Cat. No. | |
| CAS No. | 125-99-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H36INO |
| Molecular Weight | 445.421 |
| Exact Mass | 445.184 |
| XLogP3 | 1.7251 |
| Mr | 114.031 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 60 |
| Bond number | 60 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CC[N+](CCC(c1ccccc1)(C1CCCCC1)O)(CC)CC.[I-] |
