Molecule ID: mol35396

SMILES: CCCCNC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

InChI: InChI=1S/C26H31NO3/c1-5-6-19-27-26(20-7-13-23(28-2)14-8-20,21-9-15-24(29-3)16-10-21)22-11-17-25(30-4)18-12-22/h7-18,27H,5-6,19H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization