Molecule ID: mol36106

SMILES: O=C([O-])CCC[n+]1ccn(CCCC(=O)O)c1

InChI: InChI=1S/C11H16N2O4/c14-10(15)3-1-5-12-7-8-13(9-12)6-2-4-11(16)17/h7-9H,1-6H2,(H-,14,15,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.47 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization