Molecule ID: mol23161

SMILES: C=COc1ccc(N(C)c2ccccc2C(=O)O)cc1

InChI: InChI=1S/C16H15NO3/c1-3-20-13-10-8-12(9-11-13)17(2)15-7-5-4-6-14(15)16(18)19/h3-11H,1H2,2H3,(H,18,19)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.34 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization