Base information
| Cat. No. | |
| CAS No. | 1309760-94-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C48H30N6O36Ti8 |
| Molecular Weight | 1649.71 |
| Exact Mass | 1649.65 |
| XLogP3 | -2.7204 |
| Mr | 253.52 |
| PSA | 738.3 |
| Sequence | - |
| Atom number | 128 |
| Bond number | 144 |
| Ring number | 17 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | Nc1cc(ccc1C1=[O][Ti+4]234[O-]C(=[O][Ti+4]5([O-2]2)([O-]3)[O]=C([O-][Ti+4]2([O-2]5)[O-2][Ti+4]3([O-]2)[O-]C(=[O][Ti+4]25([O-2][Ti+4]6([O-2][Ti+4]7([O-2][Ti+4]([O-]1)([O-2]4)[O-]7)[O-]C(=[O]6)c1ccc(cc1N)C(=O)[O-])([O]=C([O-]5)c1ccc(cc1N)C(=O)[O-])[O-]2)[O-2]3)c1ccc(cc1N)C(=O)[O-])c1ccc(cc1N)C(=O)[O-])c1ccc(cc1N)C(=O)[O-])C(=O)[O-] |
