Molecule ID: mol22694

SMILES: NCc1cccc(C(=O)O)c1

InChI: InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization