Molecule ID: mol19986

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cncc(CC(C)(C)C)c2)CC1

InChI: InChI=1S/C25H33F2N3O2/c1-16(31)30-22(10-17-8-20(26)11-21(27)9-17)23(32)15-29-25(5-6-25)19-7-18(13-28-14-19)12-24(2,3)4/h7-9,11,13-14,22-23,29,32H,5-6,10,12,15H2,1-4H3,(H,30,31)/t22-,23+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization