Molecule ID: mol36192

SMILES: O=S(=O)(Cc1ccc(Cl)cc1)NCCCCc1c[nH]cn1

InChI: InChI=1S/C14H18ClN3O2S/c15-13-6-4-12(5-7-13)10-21(19,20)18-8-2-1-3-14-9-16-11-17-14/h4-7,9,11,18H,1-3,8,10H2,(H,16,17)

Experimental Macro pKa Values

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