Molecule ID: mol12855

SMILES: O=S1(=O)N=CNc2ccncc21

InChI: InChI=1S/C6H5N3O2S/c10-12(11)6-3-7-2-1-5(6)8-4-9-12/h1-4H,(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.71 Datawarrior 0 » -1
6.71 OCHEM 0 » -1
6.71 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization