Base information
| Cat. No. | |
| CAS No. | 681281-88-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H27IN4S |
| Molecular Weight | 614.542 |
| Exact Mass | 614.1 |
| XLogP3 | 4.3257 |
| Mr | 168.126 |
| PSA | 53.18 |
| Sequence | - |
| Atom number | 64 |
| Bond number | 68 |
| Ring number | 6 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CC[n+]1c(/C=C/N(c2ccccc2)C)n(c2c1cc(cc2)c1nc2c(s1)cccc2)c1ccccc1.[I-] |
