Molecule ID: mol20258

SMILES: C[n+]1c2ccccc2c(NC2CCNCC2)c2[nH]c3ccccc3c21

InChI: InChI=1S/C21H22N4/c1-25-18-9-5-3-7-16(18)19(23-14-10-12-22-13-11-14)20-21(25)15-6-2-4-8-17(15)24-20/h2-9,14,22H,10-13H2,1H3,(H,23,24)/p+1

Experimental Macro pKa Values

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