Molecule ID: mol35176

SMILES: CCC1=C(c2ccc(Cl)cc2)N2CCN=C2S1

InChI: InChI=1S/C13H13ClN2S/c1-2-11-12(9-3-5-10(14)6-4-9)16-8-7-15-13(16)17-11/h3-6H,2,7-8H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.68 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization