Base information
| Cat. No. | |
| CAS No. | 1337989-45-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H22N4O8 |
| Molecular Weight | 638.582 |
| Exact Mass | 638.144 |
| XLogP3 | 2.822 |
| Mr | 182.333 |
| PSA | 205.5 |
| Sequence | - |
| Atom number | 70 |
| Bond number | 76 |
| Ring number | 7 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cc(cc(c1)C(=O)O)/C/1=C/2\C=CC(=N2)/C=c\2/cc/c(=C(/C3=N/C(=C\c4[nH]c1cc4)/C=C3)\c1cc(cc(c1)C(=O)O)C(=O)O)/[nH]2 |
