Molecule ID: mol4999

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

InChI: InChI=1S/C22H28ClN3O/c1-5-26(6-2)12-11-15(3)24-22-18-9-7-16(23)13-21(18)25-20-10-8-17(27-4)14-19(20)22/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization