Molecule ID: mol17967

SMILES: CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O

InChI: InChI=1S/C14H16ClN5O4S/c1-14(2,12(21)22)20-25(23,24)7-3-4-8-9(5-7)11(19-13(16)17)18-6-10(8)15/h3-6,20H,1-2H3,(H,21,22)(H4,16,17,18,19)

Experimental Macro pKa Values

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