Molecule ID: mol19075

SMILES: N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCc4cccs4)cc2-3)cn1

InChI: InChI=1S/C23H18N4OS/c24-13-17-7-5-16(14-25-17)22-21-11-15-6-8-18(12-20(15)23(21)27-26-22)28-9-1-3-19-4-2-10-29-19/h2,4-8,10,12,14H,1,3,9,11H2,(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.60 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization