Molecule ID: mol36382

SMILES: O=C1C(=Cc2sc3ccccc3[n+]2Cc2ccc(C(=O)O)cc2)C([O-])=C1C=C1Sc2ccccc2N1Cc1ccc(C(=O)O)cc1

InChI: InChI=1S/C36H24N2O6S2/c39-33-25(17-31-37(27-5-1-3-7-29(27)45-31)19-21-9-13-23(14-10-21)35(41)42)34(40)26(33)18-32-38(28-6-2-4-8-30(28)46-32)20-22-11-15-24(16-12-22)36(43)44/h1-18H,19-20H2,(H2-,39,40,41,42,43,44)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.40 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization