Molecule ID: mol25134

SMILES: Cc1cc(O)c(O)c(C(=O)Nc2ccccn2)[n+]1C

InChI: InChI=1S/C13H13N3O3/c1-8-7-9(17)12(18)11(16(8)2)13(19)15-10-5-3-4-6-14-10/h3-7H,1-2H3,(H2,14,15,18,19)/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.25 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization