Molecule ID: mol34636

SMILES: COc1ccc2[nH]c(C)c(C3(c4c(C)[nH]c5ccc(OC)cc45)OC(=O)c4ccccc43)c2c1

InChI: InChI=1S/C28H24N2O4/c1-15-25(20-13-17(32-3)9-11-23(20)29-15)28(22-8-6-5-7-19(22)27(31)34-28)26-16(2)30-24-12-10-18(33-4)14-21(24)26/h5-14,29-30H,1-4H3

Experimental Macro pKa Values

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