Molecule ID: mol19832

SMILES: CC(=O)Nc1cc(-c2cccc(N3CCOCC3)n2)nc(-n2nc(C)cc2C)n1

InChI: InChI=1S/C20H23N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-5-4-6-19(22-16)26-7-9-29-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,21,23,24,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.90 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization