Molecule ID: mol19985

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CC1

InChI: InChI=1S/C25H32F2N2O2/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(8-9-25)19-7-5-6-18(13-19)24(2,3)4/h5-7,10-11,13-14,22-23,28,31H,8-9,12,15H2,1-4H3,(H,29,30)/t22-,23+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization