Molecule ID: mol18656

SMILES: Cc1nc2c3c(c(C(=O)N4CC(F)(F)C4)cn2c1C)CCC1(CCc2ccccc21)O3

InChI: InChI=1S/C24H23F2N3O2/c1-14-15(2)29-11-18(22(30)28-12-24(25,26)13-28)17-8-10-23(31-20(17)21(29)27-14)9-7-16-5-3-4-6-19(16)23/h3-6,11H,7-10,12-13H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization