Molecule ID: mol16390

SMILES: COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1

InChI: InChI=1S/C25H25FN4O3/c1-17-14-29(16-27-17)22-10-5-18(13-23(22)32-2)12-19-4-3-11-30-24(19)28-33-25(30,15-31)20-6-8-21(26)9-7-20/h5-10,12-14,16,31H,3-4,11,15H2,1-2H3/b19-12+/t25-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization