Molecule ID: mol20684

SMILES: O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2cnc[nH]2)CC1

InChI: InChI=1S/C21H22ClN3O3S/c22-18-3-1-17-12-19(4-2-16(17)11-18)29(27,28)10-7-21(26)25-8-5-15(6-9-25)20-13-23-14-24-20/h1-4,11-15H,5-10H2,(H,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.90 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization