Molecule ID: mol19713

SMILES: O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNCC2)CNC3=O)ccn1)c1cccc(OC(F)(F)F)c1

InChI: InChI=1S/C24H22F3N5O3/c25-24(26,27)35-16-3-1-2-15(10-16)21(33)32-19-11-14(4-7-29-19)18-12-17-20(31-18)23(13-30-22(17)34)5-8-28-9-6-23/h1-4,7,10-12,28,31H,5-6,8-9,13H2,(H,30,34)(H,29,32,33)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization