Molecule ID: mol12857

SMILES: O=S1(=O)N=CNc2cccnc21

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.94 Datawarrior 0 » -1
6.94 QSARToolbox 0 » -1
6.94 OCHEM 0 » -1
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Charge States and Microspecies Visualization