Molecule ID: mol20805

SMILES: c1cc2c(cc1CN1CCC3(COC3)C1)OCO2

InChI: InChI=1S/C14H17NO3/c1-2-12-13(18-10-17-12)5-11(1)6-15-4-3-14(7-15)8-16-9-14/h1-2,5H,3-4,6-10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization