Molecule ID: mol37999

SMILES: Cc1cc(N2CCOCCOCCOCCOCC2)ccc1-c1c2ccccc2[n+](C)c2ccccc12

InChI: InChI=1S/C31H37N2O4/c1-24-23-25(33-13-15-34-17-19-36-21-22-37-20-18-35-16-14-33)11-12-26(24)31-27-7-3-5-9-29(27)32(2)30-10-6-4-8-28(30)31/h3-12,23H,13-22H2,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization