Molecule ID: mol20264

SMILES: CN(C)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12

InChI: InChI=1S/C21H24N4/c1-24(2)14-8-13-22-19-16-10-5-7-12-18(16)25(3)21-15-9-4-6-11-17(15)23-20(19)21/h4-7,9-12H,8,13-14H2,1-3H3,(H,22,23)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization