Base information
| Cat. No. | |
| CAS No. | 12284-10-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C34H4Fe3N4O2 |
| Molecular Weight | 667.956 |
| Exact Mass | 667.838 |
| XLogP3 | 2.0959 |
| Mr | 143.586 |
| PSA | 77.84 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 78 |
| Ring number | 32 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | n1nc(oc1[CH-]12C3=C4[Fe+2]5678923(C1=C45)[CH-]1(c2nnc(o2)[CH-]23C4=C5[Fe+2]%10%11%12%13%1434(C2=C5%10)[c-]2c%11c%13c%14c%122)C6=C8C9=C71)[CH-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71 |
