Base information
| Cat. No. | |
| CAS No. | 85187-44-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C30H18FeKN6O18S6-- |
| Molecular Weight | 1037.83 |
| Exact Mass | 1036.8 |
| XLogP3 | 8.5115 |
| Mr | 218.149 |
| PSA | 465.66 |
| Sequence | - |
| Atom number | 80 |
| Bond number | 87 |
| Ring number | 9 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | [O-]S(=O)(=O)c1cc2c3N[Fe+3]45(Nc3ccc2c(c1)S(=O)(=O)[O-])(Nc1c(N5)ccc2c1cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1c(N4)ccc2c1cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[K+] |
