Molecule ID: mol21131

SMILES: CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccncc21

InChI: InChI=1S/C23H22N2O/c1-2-3-6-14-25-16-21(19-12-13-24-15-22(19)25)23(26)20-11-7-9-17-8-4-5-10-18(17)20/h4-5,7-13,15-16H,2-3,6,14H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.83 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization