Molecule ID: mol20274

SMILES: CCN(CC)Cc1ccc(Nc2c3ccccc3[n+](C)c3c2[nH]c2ccccc23)cc1O

InChI: InChI=1S/C27H28N4O/c1-4-31(5-2)17-18-14-15-19(16-24(18)32)28-25-21-11-7-9-13-23(21)30(3)27-20-10-6-8-12-22(20)29-26(25)27/h6-16H,4-5,17H2,1-3H3,(H2,28,29,32)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization