Base information
| Cat. No. | |
| CAS No. | 28755-93-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H46ClFeN4 |
| Molecular Weight | 626.075 |
| Exact Mass | 625.276 |
| XLogP3 | 9.545 |
| Mr | 193.638 |
| PSA | 72.42 |
| Sequence | - |
| Atom number | 88 |
| Bond number | 95 |
| Ring number | 8 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CCC1=C(CC)C2=CC3=N4[Fe+3]56([N-]2C1=CC1=N5C(=CC2=C(C(=C([N-]62)C=C4C(=C3CC)CC)CC)CC)C(=C1CC)CC)[Cl-] |
