Molecule ID: mol16734

SMILES: COc1cc(NC(C)CCCNC(=O)OCC(F)(F)F)c2ncccc2c1

InChI: InChI=1S/C18H22F3N3O3/c1-12(5-3-8-23-17(25)27-11-18(19,20)21)24-15-10-14(26-2)9-13-6-4-7-22-16(13)15/h4,6-7,9-10,12,24H,3,5,8,11H2,1-2H3,(H,23,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.37 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization