Molecule ID: mol32161

SMILES: Cc1cc(OCCc2ccc(CN)cc2)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1

InChI: InChI=1S/C22H21Cl2NO4S/c1-15-11-18(28-10-9-16-5-7-17(14-25)8-6-16)13-19(12-15)29-30(26,27)21-4-2-3-20(23)22(21)24/h2-8,11-13H,9-10,14,25H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.00 OCHEM 1 » 0
9.00 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization