Base information
| Cat. No. | |
| CAS No. | 21007-21-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C30H28ClFeN4O4- |
| Molecular Weight | 600.874 |
| Exact Mass | 600.123 |
| XLogP3 | 2.6644 |
| Mr | 164.455 |
| PSA | 152.68 |
| Sequence | - |
| Atom number | 69 |
| Bond number | 75 |
| Ring number | 8 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)CCC1=C2C=C3C(=C(C4=N3[Fe+3]35([N-]2C(=C1C)C=C1N5=C(C=C1C)C=C1[N-]3C(=C4)C=C1C)[Cl-])C)CCC(=O)[O-].[H+] |
