Molecule ID: mol17393

SMILES: CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(CNC(=O)OC3CCNCC3(F)F)c2cn1

InChI: InChI=1S/C25H28F2N6O3/c1-3-29-23(34)33-22-11-19-18(16-6-9-30-15(2)10-16)5-4-17(20(19)13-31-22)12-32-24(35)36-21-7-8-28-14-25(21,26)27/h4-6,9-11,13,21,28H,3,7-8,12,14H2,1-2H3,(H,32,35)(H2,29,31,33,34)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization