Molecule ID: mol20272

SMILES: C[n+]1c2ccccc2c(NC2CCN(Cc3ccccc3O)CC2)c2[nH]c3ccccc3c21

InChI: InChI=1S/C28H28N4O/c1-31-24-12-6-4-10-22(24)26(27-28(31)21-9-3-5-11-23(21)30-27)29-20-14-16-32(17-15-20)18-19-8-2-7-13-25(19)33/h2-13,20H,14-18H2,1H3,(H2,29,30,33)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization