Molecule ID: mol30250

SMILES: c1ccc(C2=NCCO2)cc1

InChI: InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization