Molecule ID: mol17154

SMILES: O=c1c2ccccc2n(CCCCN2CCN(CCO)CC2)c2ccc(Cl)cc12

InChI: InChI=1S/C23H28ClN3O2/c24-18-7-8-22-20(17-18)23(29)19-5-1-2-6-21(19)27(22)10-4-3-9-25-11-13-26(14-12-25)15-16-28/h1-2,5-8,17,28H,3-4,9-16H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.26 OCHEM 2 » 1
5.26 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization