Molecule ID: mol29349

SMILES: CC(/N=C/c1ccncc1O)C(=O)O

InChI: InChI=1S/C9H10N2O3/c1-6(9(13)14)11-4-7-2-3-10-5-8(7)12/h2-6,12H,1H3,(H,13,14)/b11-4+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.25 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization