Molecule ID: mol3490

SMILES: c1ccc(COc2ccc(CNC(Cc3ccccc3)Cc3ccccc3)cc2)cc1

InChI: InChI=1S/C29H29NO/c1-4-10-24(11-5-1)20-28(21-25-12-6-2-7-13-25)30-22-26-16-18-29(19-17-26)31-23-27-14-8-3-9-15-27/h1-19,28,30H,20-23H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.65 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization