Molecule ID: mol37417

SMILES: CSCC[C@H](NCc1ccccn1)C(=O)O

InChI: InChI=1S/C11H16N2O2S/c1-16-7-5-10(11(14)15)13-8-9-4-2-3-6-12-9/h2-4,6,10,13H,5,7-8H2,1H3,(H,14,15)/t10-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.10 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization