Molecule ID: mol4998

SMILES: CCN(CC)CCCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12

InChI: InChI=1S/C24H32ClN3O/c1-5-28(6-2)14-8-7-9-17(3)26-24-20-12-10-18(25)15-23(20)27-22-13-11-19(29-4)16-21(22)24/h10-13,15-17H,5-9,14H2,1-4H3,(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.74 OCHEM 2 » 1
7.74 Datawarrior 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization