Molecule ID: mol9884

SMILES: OC1NC(=S)Nc2nccnc21

InChI: InChI=1S/C6H6N4OS/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2,5,11H,(H2,8,9,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization