Molecule ID: mol12702

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

InChI: InChI=1S/C8H9NO3/c1-5-3-7(8(10)11)4-6(2)9(5)12/h3-4H,1-2H3,(H-,10,11,12)/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.01 Datawarrior 1 » 0
-0.01 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization