Molecule ID: mol34837

SMILES: COc1cccc(C(=O)Nc2nnn[nH]2)c1O

InChI: InChI=1S/C9H9N5O3/c1-17-6-4-2-3-5(7(6)15)8(16)10-9-11-13-14-12-9/h2-4,15H,1H3,(H2,10,11,12,13,14,16)

Experimental Macro pKa Values

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