Molecule ID: mol36558

SMILES: CNc1ccncc1C(=O)OC

InChI: InChI=1S/C8H10N2O2/c1-9-7-3-4-10-5-6(7)8(11)12-2/h3-5H,1-2H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization