Molecule ID: mol20814

SMILES: O=C1CCN(Cc2ccc3c(c2)OCO3)CC1

InChI: InChI=1S/C13H15NO3/c15-11-3-5-14(6-4-11)8-10-1-2-12-13(7-10)17-9-16-12/h1-2,7H,3-6,8-9H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.50 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization