Molecule ID: mol5193

SMILES: CN1CCc2cc3c(cc2C1O)OCO3

InChI: InChI=1S/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.38 QSARToolbox 1 » 0
11.58 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization