Molecule ID: mol2953

SMILES: N#Cc1c(-c2ccccc2)nc(SCc2ccccc2)[nH]c1=O

InChI: InChI=1S/C18H13N3OS/c19-11-15-16(14-9-5-2-6-10-14)20-18(21-17(15)22)23-12-13-7-3-1-4-8-13/h1-10H,12H2,(H,20,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.50 Novartis 0 » -1
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Charge States and Microspecies Visualization