Molecule ID: mol34651

SMILES: c1ccc(-c2cc3nc(c2)COCCOCCOCCOCCOCCOCCOCCOC3)cc1

InChI: InChI=1S/C27H39NO8/c1-2-4-24(5-3-1)25-20-26-22-35-18-16-33-14-12-31-10-8-29-6-7-30-9-11-32-13-15-34-17-19-36-23-27(21-25)28-26/h1-5,20-21H,6-19,22-23H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization