Molecule ID: mol25111

SMILES: CNC(=O)c1c(O)c(O)cc(C)[n+]1C

InChI: InChI=1S/C9H12N2O3/c1-5-4-6(12)8(13)7(11(5)3)9(14)10-2/h4H,1-3H3,(H2,10,13,14)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization