Molecule ID: mol24450

SMILES: COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1[S+]2[O-]

InChI: InChI=1S/C19H24N2O2S/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)24(22)19-10-9-15(23-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-,24?/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.15 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization