Molecule ID: euroSAMPL-06

SMILES: CN1C(=O)Cc2cc(C(=O)O)ccc21

InChI: InChI=1S/C10H9NO3/c1-11-8-3-2-6(10(13)14)4-7(8)5-9(11)12/h2-4H,5H2,1H3,(H,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.24 euroSAMPL1 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization