Molecule ID: mol16697

SMILES: CCN(CCCC(=O)OC)c1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1

InChI: InChI=1S/C26H32BF2N3O2/c1-7-30(14-8-9-23(33)34-6)22-12-10-21(11-13-22)24-25-17(2)15-19(4)31(25)27(28,29)32-20(5)16-18(3)26(24)32/h10-13,15-16H,7-9,14H2,1-6H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization