Molecule ID: mol14200

SMILES: Cc1ccccc1NCCS

InChI: InChI=1S/C9H13NS/c1-8-4-2-3-5-9(8)10-6-7-11/h2-5,10-11H,6-7H2,1H3

Experimental Macro pKa Values

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