Molecule ID: mol16033

SMILES: Cc1cc(O)n[nH]1

InChI: InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization