Molecule ID: mol36896

SMILES: O=C(O)CCCCC[n+]1ccccc1

InChI: InChI=1S/C11H15NO2/c13-11(14)7-3-1-4-8-12-9-5-2-6-10-12/h2,5-6,9-10H,1,3-4,7-8H2/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization