Molecule ID: mol4544

SMILES: COc1cccc2sc(N)nc12

InChI: InChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.29 IUPAC digitized pKa 1 » 0
4.29 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization