Molecule ID: mol16391

SMILES: COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1

InChI: InChI=1S/C25H25FN4O2/c1-17-15-29(16-27-17)22-11-6-18(14-23(22)31-3)13-19-5-4-12-30-24(19)28-32-25(30,2)20-7-9-21(26)10-8-20/h6-11,13-16H,4-5,12H2,1-3H3/b19-13+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization