Molecule ID: mol20310

SMILES: Cc1cnc(NCC(F)(F)c2ccc(F)cc2)c(=O)n1CC(=O)NCc1cnc(N)cn1

InChI: InChI=1S/C20H20F3N7O2/c1-12-6-28-18(29-11-20(22,23)13-2-4-14(21)5-3-13)19(32)30(12)10-17(31)27-8-15-7-26-16(24)9-25-15/h2-7,9H,8,10-11H2,1H3,(H2,24,26)(H,27,31)(H,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.70 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization