Molecule ID: mol2308

SMILES: CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3

InChI: InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.15 Hunt 0 » -1
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Charge States and Microspecies Visualization