Molecule ID: mol34657

SMILES: c1cc2nc(c1)COCCOCCOCCOCCOCCOCCOC2

InChI: InChI=1S/C19H31NO7/c1-2-18-16-26-14-12-24-10-8-22-6-4-21-5-7-23-9-11-25-13-15-27-17-19(3-1)20-18/h1-3H,4-17H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization