Base information
| Cat. No. | |
| CAS No. | 122341-38-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H32N4O4 |
| Molecular Weight | 680.749 |
| Exact Mass | 680.242 |
| XLogP3 | 5.9126 |
| Mr | 212.035 |
| PSA | 137.22 |
| Sequence | - |
| Atom number | 84 |
| Bond number | 92 |
| Ring number | 9 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Oc1cccc(c1)/C/1=C/2\CCC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1cccc(c1)O)/C=C3)\c1cccc(c1)O)/[nH]2)/c1cccc(c1)O |
