Base information
| Cat. No. | |
| CAS No. | 1184-43-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H28ClN12O10+ |
| Molecular Weight | 872.178 |
| Exact Mass | 871.174 |
| XLogP3 | 5.1492 |
| Mr | 234.041 |
| PSA | 270.92 |
| Sequence | - |
| Atom number | 91 |
| Bond number | 97 |
| Ring number | 8 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1n1nc(n[n+]1c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O)c1ccc(c(c1)OC)n1nc(n[n+]1c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O.[Cl-] |
