Base information
| Cat. No. | |
| CAS No. | 36965-70-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H26Cl5FeN4 |
| Molecular Weight | 843.814 |
| Exact Mass | 840.995 |
| XLogP3 | 12.0266 |
| Mr | 237.882 |
| PSA | 72.42 |
| Sequence | - |
| Atom number | 80 |
| Bond number | 91 |
| Ring number | 12 |
| Rotor number | 4 |
| 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)[Cl-] |
