Molecule ID: mol25139

SMILES: Cc1cc(O)c(O)c(C(=O)NCc2ccccc2)[n+]1C

InChI: InChI=1S/C15H16N2O3/c1-10-8-12(18)14(19)13(17(10)2)15(20)16-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H2,16,19,20)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization