Molecule ID: mol37997

SMILES: C[n+]1c2ccccc2c(-c2ccc(N3CCOCCOCCOCCOCC3)cc2)c2ccccc21

InChI: InChI=1S/C30H35N2O4/c1-31-28-8-4-2-6-26(28)30(27-7-3-5-9-29(27)31)24-10-12-25(13-11-24)32-14-16-33-18-20-35-22-23-36-21-19-34-17-15-32/h2-13H,14-23H2,1H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.52 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization