Molecule ID: mol20268

SMILES: C[n+]1c2ccccc2c(NCCCN2CCCCC2)c2[nH]c3ccccc3c21

InChI: InChI=1S/C24H28N4/c1-27-21-13-6-4-11-19(21)22(25-14-9-17-28-15-7-2-8-16-28)23-24(27)18-10-3-5-12-20(18)26-23/h3-6,10-13H,2,7-9,14-17H2,1H3,(H,25,26)/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.70 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization