Molecule ID: mol20411

SMILES: CCOc1cc(CN2CCC(Nc3nc4cc(C(N)=O)ccc4o3)CC2)cc(OCC)c1F

InChI: InChI=1S/C24H29FN4O4/c1-3-31-20-11-15(12-21(22(20)25)32-4-2)14-29-9-7-17(8-10-29)27-24-28-18-13-16(23(26)30)5-6-19(18)33-24/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,26,30)(H,27,28)

Experimental Macro pKa Values

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