Molecule ID: mol18642

SMILES: Cc1cc(CNCc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1

InChI: InChI=1S/C22H23N5/c1-17-13-21(26(24-17)19-9-5-3-6-10-19)15-23-16-22-14-18(2)25-27(22)20-11-7-4-8-12-20/h3-14,23H,15-16H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.20 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization