Base information
| Cat. No. | |
| CAS No. | 37191-15-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C88H52Cl8Fe2N8O |
| Molecular Weight | 1632.72 |
| Exact Mass | 1628.05 |
| XLogP3 | 22.5554 |
| Mr | 464.745 |
| PSA | 161.91 |
| Sequence | - |
| Atom number | 159 |
| Bond number | 182 |
| Ring number | 24 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(cc1)C1=C2C=CC3=C(c4ccc(cc4)Cl)C4=N5[Fe+3]6([N-]23)(N2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccc(cc1)Cl)c1ccc(cc1)Cl)[O-2][Fe+3]123[N-]4C5=CC=C4C(=C4N2=C(C(=C2[N-]1C(=C(C1=N3C(=C5c3ccc(cc3)Cl)C=C1)c1ccc(cc1)Cl)C=C2)c1ccc(cc1)Cl)C=C4)c1ccc(cc1)Cl |
