Molecule ID: mol36016

SMILES: Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccccc2)c1O

InChI: InChI=1S/C15H16N4O2S/c1-10-14(21)13(11(9-20)7-16-10)8-17-19-15(22)18-12-5-3-2-4-6-12/h2-8,20-21H,9H2,1H3,(H2,18,19,22)/b17-8+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.55 QSARToolbox -2 » -3
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Charge States and Microspecies Visualization