Molecule ID: mol18402

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(C(N)=O)cccc12

InChI: InChI=1S/C22H19N5O6S/c1-33-19-10-12(26-34(2,31)32)6-9-17(19)24-20-14-8-7-13(27(29)30)11-18(14)25-21-15(20)4-3-5-16(21)22(23)28/h3-11,26H,1-2H3,(H2,23,28)(H,24,25)

Experimental Macro pKa Values

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