Base information
| Cat. No. | |
| CAS No. | 1258668-21-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C29H22D5N5O7 |
| Molecular Weight | 562.585 |
| Exact Mass | 562.222 |
| XLogP3 | 7.9624 |
| Mr | 161.329 |
| PSA | 167 |
| Sequence | - |
| Atom number | 68 |
| Bond number | 70 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | [2H]c1c([2H])c([2H])c(c(c1[2H])[2H])[C+](c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])[O-] |
