Molecule ID: mol18655

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

InChI: InChI=1S/C24H24FN3O2/c1-14-15(2)28-13-19(23(29)27-11-17(25)12-27)18-8-10-24(30-21(18)22(28)26-14)9-7-16-5-3-4-6-20(16)24/h3-6,13,17H,7-12H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization