Molecule ID: mol7118

SMILES: Nc1ccccc1Sc1cnc(O)nc1O

InChI: InChI=1S/C10H9N3O2S/c11-6-3-1-2-4-7(6)16-8-5-12-10(15)13-9(8)14/h1-5H,11H2,(H2,12,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.99 IUPAC digitized pKa 1 » 0
8.30 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization