Molecule ID: mol36841

SMILES: CCCc1cc[n+](CC(=O)O)cc1

InChI: InChI=1S/C10H13NO2/c1-2-3-9-4-6-11(7-5-9)8-10(12)13/h4-7H,2-3,8H2,1H3/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.76 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization