Molecule ID: mol4164

SMILES: Cn1ccc(=O)nc1

InChI: InChI=1S/C5H6N2O/c1-7-3-2-5(8)6-4-7/h2-4H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.80 IUPAC digitized pKa 1 » 0
2.02 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization