Molecule ID: mol37513

SMILES: O=C(Nc1nnn[nH]1)c1cc(Cl)ccc1O

InChI: InChI=1S/C8H6ClN5O2/c9-4-1-2-6(15)5(3-4)7(16)10-8-11-13-14-12-8/h1-3,15H,(H2,10,11,12,13,14,16)

Experimental Macro pKa Values

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