Molecule ID: mol17731

SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCN(C)CC5)c(F)c4)C3)o2)cc1

InChI: InChI=1S/C25H28FN5O4/c1-29-9-11-30(12-10-29)14-18-5-8-20(13-22(18)26)34-21-15-31(16-21)25(32)24-28-27-23(35-24)17-3-6-19(33-2)7-4-17/h3-8,13,21H,9-12,14-16H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.40 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization