Base information
| Cat. No. | |
| CAS No. | 36995-20-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C48H38ClFeN4O4 |
| Molecular Weight | 826.138 |
| Exact Mass | 825.193 |
| XLogP3 | 9.4474 |
| Mr | 243.81 |
| PSA | 109.34 |
| Sequence | - |
| Atom number | 96 |
| Bond number | 107 |
| Ring number | 12 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)C1=C2C=CC3=C(c4ccc(cc4)OC)C4=N5[Fe+3]6([N-]23)(N2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccc(cc1)OC)c1ccc(cc1)OC)[Cl-] |
