Molecule ID: mol20761

SMILES: CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccc(C)cc1

InChI: InChI=1S/C22H30N2O3S/c1-4-24(28(25,26)22-10-6-18(2)7-11-22)14-5-13-23-15-12-19-16-21(27-3)9-8-20(19)17-23/h6-11,16H,4-5,12-15,17H2,1-3H3

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