Molecule ID: mol33128

SMILES: Cc1cccc([As](=O)(O)O)c1

InChI: InChI=1S/C7H9AsO3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3,(H2,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.82 QSARToolbox 0 » -1
3.82 QSARToolbox 0 » -1
4.12 OCHEM 0 » -1
8.30 OCHEM -1 » -2
8.60 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization