Molecule ID: mol36537

SMILES: CNC(=S)N(C)/N=C/c1c(CO)cnc(C)c1O

InChI: InChI=1S/C11H16N4O2S/c1-7-10(17)9(8(6-16)4-13-7)5-14-15(3)11(18)12-2/h4-5,16-17H,6H2,1-3H3,(H,12,18)/b14-5+

Experimental Macro pKa Values

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