Molecule ID: mol20811

SMILES: O=C1CCCN(Cc2ccc3c(c2)OCO3)C1

InChI: InChI=1S/C13H15NO3/c15-11-2-1-5-14(8-11)7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6H,1-2,5,7-9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization