Molecule ID: mol3338

SMILES: CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1

InChI: InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.90 QSARToolbox 2 » 1
8.96 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization