Molecule ID: mol34659

SMILES: c1cc2nc(c1)COCCOCCOCCOC2

InChI: InChI=1S/C13H19NO4/c1-2-12-10-17-8-6-15-4-5-16-7-9-18-11-13(3-1)14-12/h1-3H,4-11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization