Molecule ID: mol35738

SMILES: O=C(Nc1ccccc1)c1[nH]c2ccccc2c1C1(c2c(C(=O)Nc3ccccc3)[nH]c3ccccc23)OC(=O)c2c([N+](=O)[O-])cccc21

InChI: InChI=1S/C38H25N5O6/c44-35(39-22-12-3-1-4-13-22)33-31(24-16-7-9-19-27(24)41-33)38(26-18-11-21-29(43(47)48)30(26)37(46)49-38)32-25-17-8-10-20-28(25)42-34(32)36(45)40-23-14-5-2-6-15-23/h1-21,41-42H,(H,39,44)(H,40,45)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.80 QSARToolbox -2 » -3
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Charge States and Microspecies Visualization