Molecule ID: mol19983

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(CC(C)(C)C)no2)CCCCC1

InChI: InChI=1S/C26H37F2N3O3/c1-17(32)30-22(12-18-10-19(27)13-20(28)11-18)23(33)16-29-26(8-6-5-7-9-26)24-14-21(31-34-24)15-25(2,3)4/h10-11,13-14,22-23,29,33H,5-9,12,15-16H2,1-4H3,(H,30,32)/t22-,23+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization