Molecule ID: mol37087

SMILES: O=CC(C=O)C(c1ccccc1)N1CCOCC1

InChI: InChI=1S/C14H17NO3/c16-10-13(11-17)14(12-4-2-1-3-5-12)15-6-8-18-9-7-15/h1-5,10-11,13-14H,6-9H2

Experimental Macro pKa Values

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