Molecule ID: mol16301

SMILES: CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)CS(=O)(=O)C2

InChI: InChI=1S/C23H28F2N2O4S/c1-3-15-4-5-17-12-32(30,31)13-22(20(17)8-15)26-11-23(29)21(27-14(2)28)9-16-6-18(24)10-19(25)7-16/h4-8,10,21-23,26,29H,3,9,11-13H2,1-2H3,(H,27,28)/t21-,22-,23+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization