Molecule ID: mol38308

SMILES: N=C(N)Nc1nccc(-c2csc(NC(=N)N)n2)n1

InChI: InChI=1S/C9H11N9S/c10-6(11)17-8-14-2-1-4(15-8)5-3-19-9(16-5)18-7(12)13/h1-3H,(H4,12,13,16,18)(H4,10,11,14,15,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.80 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization