Molecule ID: mol19709

SMILES: O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1ccc2ccccc2c1

InChI: InChI=1S/C26H23N5O2/c32-24(19-6-5-16-3-1-2-4-17(16)11-19)31-22-12-18(7-9-28-22)21-13-20-23(30-21)26(8-10-27-14-26)15-29-25(20)33/h1-7,9,11-13,27,30H,8,10,14-15H2,(H,29,33)(H,28,31,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization