Molecule ID: mol38142

SMILES: C(=C/c1c2ccccc2nc2ccccc12)\c1ccc(N2CCOCCOCCOCCOCCOCC2)cc1

InChI: InChI=1S/C33H38N2O5/c1-3-7-32-30(5-1)29(31-6-2-4-8-33(31)34-32)14-11-27-9-12-28(13-10-27)35-15-17-36-19-21-38-23-25-40-26-24-39-22-20-37-18-16-35/h1-14H,15-26H2/b14-11+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization