Molecule ID: mol12975

SMILES: Nc1ccncc1C(=O)O

InChI: InChI=1S/C6H6N2O2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H2,7,8)(H,9,10)

Experimental Macro pKa Values

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