Molecule ID: mol36559

SMILES: CNc1ccncc1C(=O)O

InChI: InChI=1S/C7H8N2O2/c1-8-6-2-3-9-4-5(6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.20 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization