Molecule ID: mol3022

SMILES: O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2

InChI: InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)

Experimental Macro pKa Values

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