Molecule ID: mol36832

SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCNC(=O)c1ccccc1C(=O)OO

InChI: InChI=1S/C30H52N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32(2,3)26-24-31-29(33)27-22-19-20-23-28(27)30(34)36-35/h19-20,22-23H,4-18,21,24-26H2,1-3H3,(H-,31,33,35)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization