Molecule ID: mol29634

SMILES: COc1ccc(C=O)cc1CN1CCOCC1

InChI: InChI=1S/C13H17NO3/c1-16-13-3-2-11(10-15)8-12(13)9-14-4-6-17-7-5-14/h2-3,8,10H,4-7,9H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.77 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization