Molecule ID: mol20806

SMILES: O=C1CCN(Cc2ccc3c(c2)OCO3)C1

InChI: InChI=1S/C12H13NO3/c14-10-3-4-13(7-10)6-9-1-2-11-12(5-9)16-8-15-11/h1-2,5H,3-4,6-8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization