Base information
| Cat. No. | |
| CAS No. | 1558079-49-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C54H48BrClN2O4 |
| Molecular Weight | 904.327 |
| Exact Mass | 902.249 |
| XLogP3 | 10.0349 |
| Mr | 266.697 |
| PSA | 80.85 |
| Sequence | - |
| Atom number | 110 |
| Bond number | 117 |
| Ring number | 9 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | ClC1=C(CCC/C/1=C\C=C/1\N(Cc2ccc(cc2)C(=O)O)c2c(C1(C)C)c1ccccc1cc2)/C=C/C1=[N+](Cc2ccc(cc2)C(=O)O)c2c(C1(C)C)c1ccccc1cc2.[Br-] |
