Molecule ID: mol14227

SMILES: C[n+]1ccccc1C(C)(O)O

InChI: InChI=1S/C8H12NO2/c1-8(10,11)7-5-3-4-6-9(7)2/h3-6,10-11H,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization