Molecule ID: mol13053

SMILES: C[n+]1cccc(C(=O)O)c1

InChI: InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization