Molecule ID: mol7987

SMILES: Cn1c(S)nc2ccncc21

InChI: InChI=1S/C7H7N3S/c1-10-6-4-8-3-2-5(6)9-7(10)11/h2-4H,1H3,(H,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization