Molecule ID: mol12856

SMILES: O=S1(=O)N=CNc2ncccc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization