Molecule ID: mol25132

SMILES: Cc1cc(O)c(O)c(C(=O)Nc2ccccc2)[n+]1C

InChI: InChI=1S/C14H14N2O3/c1-9-8-11(17)13(18)12(16(9)2)14(19)15-10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,15,18,19)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization