Molecule ID: mol20277

SMILES: C[n+]1c2cc(Cl)ccc2c(NC2CCNCC2)c2[nH]c3ccccc3c21

InChI: InChI=1S/C21H21ClN4/c1-26-18-12-13(22)6-7-16(18)19(24-14-8-10-23-11-9-14)20-21(26)15-4-2-3-5-17(15)25-20/h2-7,12,14,23H,8-11H2,1H3,(H,24,25)/p+1

Experimental Macro pKa Values

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