Molecule ID: mol16386

SMILES: NC(=O)C1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1

InChI: InChI=1S/C21H20ClN3O3S/c22-15-6-7-18-17(12-15)20(25-10-8-14(9-11-25)21(23)26)19(13-24-18)29(27,28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H2,23,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization