Molecule ID: mol38228
SMILES: O=[N+]([O-])c1cccc(-c2c3nc(c(-c4cccc([N+](=O)[O-])c4)c4ccc([nH]4)c(-c4cccc([N+](=O)[O-])c4)c4nc(c(-c5cccc([N+](=O)[O-])c5)c5ccc2[nH]5)C=C4)C=C3)c1
InChI: InChI=1S/C44H26N8O8/c53-49(54)29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(22-26)50(55)56)37-17-19-39(47-37)44(28-8-4-12-32(24-28)52(59)60)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(23-27)51(57)58/h1-24,45,48H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | QSARToolbox | 0 » -1 |