Base information
| Cat. No. | |
| CAS No. | 53213-94-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C25H27IN2S2 |
| Molecular Weight | 546.53 |
| Exact Mass | 546.066 |
| XLogP3 | 4.1009 |
| Mr | 148.498 |
| PSA | 60.66 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 59 |
| Ring number | 4 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCCN1C(=CC=CC=Cc2sc3c([n+]2CCC)cccc3)Sc2c1cccc2.[I-] |
