Molecule ID: mol2295

SMILES: c1ccc(CSc2nc3ccccc3[nH]2)nc1

InChI: InChI=1S/C13H11N3S/c1-2-7-12-11(6-1)15-13(16-12)17-9-10-5-3-4-8-14-10/h1-8H,9H2,(H,15,16)

Experimental Macro pKa Values

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