Molecule ID: mol9718

SMILES: Nc1cccc(O)c1O

InChI: InChI=1S/C6H7NO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H,7H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.70 AttenGpKa training set 0 » -1
7.70 IUPAC digitized pKa 1 » 0
10.50 IUPAC digitized pKa 0 » -1
10.50 AttenGpKa training set 0 » -1
11.90 IUPAC digitized pKa -1 » -2
11.90 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization