Molecule ID: mol20759

SMILES: CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccccc1

InChI: InChI=1S/C21H28N2O3S/c1-3-23(27(24,25)21-8-5-4-6-9-21)14-7-13-22-15-12-18-16-20(26-2)11-10-19(18)17-22/h4-6,8-11,16H,3,7,12-15,17H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.40 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization