Molecule ID: mol22917

SMILES: CNc1cc(C(=O)OC)ccc1C(=O)O

InChI: InChI=1S/C10H11NO4/c1-11-8-5-6(10(14)15-2)3-4-7(8)9(12)13/h3-5,11H,1-2H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization