Molecule ID: mol18713

SMILES: COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12

InChI: InChI=1S/C22H18N4O7S/c1-33-22-10-14(24-34(2,31)32)4-3-13(22)9-19-17-7-5-15(25(27)28)11-20(17)23-21-12-16(26(29)30)6-8-18(19)21/h3-8,10-12,24H,9H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization