Molecule ID: mol36554

SMILES: CNc1ccc(C2(c3ccc(NC)cc3)OS(=O)(=O)c3ccccc32)cc1

InChI: InChI=1S/C21H20N2O3S/c1-22-17-11-7-15(8-12-17)21(16-9-13-18(23-2)14-10-16)19-5-3-4-6-20(19)27(24,25)26-21/h3-14,22-23H,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.36 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization