Molecule ID: mol29649

SMILES: O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1O

InChI: InChI=1S/C9H12N2O6/c12-3-6-4(13)1-7(17-6)11-2-5(14)8(15)10-9(11)16/h2,4,6-7,12-14H,1,3H2,(H,10,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.71 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization