Molecule ID: mol20271

SMILES: C[n+]1c2ccccc2c(NC2CCN(Cc3ccccc3)CC2)c2[nH]c3ccccc3c21

InChI: InChI=1S/C28H28N4/c1-31-25-14-8-6-12-23(25)26(27-28(31)22-11-5-7-13-24(22)30-27)29-21-15-17-32(18-16-21)19-20-9-3-2-4-10-20/h2-14,21H,15-19H2,1H3,(H,29,30)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization