Molecule ID: mol6981

SMILES: CC(=O)Nc1cnc(S)nc1N

InChI: InChI=1S/C6H8N4OS/c1-3(11)9-4-2-8-6(12)10-5(4)7/h2H,1H3,(H,9,11)(H3,7,8,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization