Molecule ID: mol1682

SMILES: CSc1ccc(N)c(I)c1

InChI: InChI=1S/C7H8INS/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.45 IUPAC digitized pKa 1 » 0
2.45 Datawarrior 1 » 0
2.45 OCHEM 1 » 0
2.45 Hunt 1 » 0
2.45 OCHEM 1 » 0
2.45 QSARToolbox 1 » 0
2.45 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization