Molecule ID: mol20276

SMILES: CCN(CC)CCCNc1c2ccc(Cl)cc2[n+](C)c2c1[nH]c1ccccc12

InChI: InChI=1S/C23H27ClN4/c1-4-28(5-2)14-8-13-25-21-18-12-11-16(24)15-20(18)27(3)23-17-9-6-7-10-19(17)26-22(21)23/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H,25,26)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization