Base information
| Cat. No. | |
| CAS No. | 55266-17-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C48H26ClFeN4O8--- |
| Molecular Weight | 879.048 |
| Exact Mass | 878.087 |
| XLogP3 | 2.867 |
| Mr | 237.91 |
| PSA | 232.94 |
| Sequence | - |
| Atom number | 89 |
| Bond number | 99 |
| Ring number | 12 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)c1ccc(cc1)C1=C2C=CC3=C(c4ccc(cc4)C(=O)[O-])C4=N5[Fe+3]6([N-]23)(N2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])[Cl-].[H+] |
