Molecule ID: mol560

SMILES: CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

InChI: InChI=1S/C25H32Cl2N4O4S/c1-29(2)23-5-3-4-6-24(23)36(33,34)28-25(32)31-13-9-18(10-14-31)30-15-11-19(12-16-30)35-20-7-8-21(26)22(27)17-20/h3-8,17-19H,9-16H2,1-2H3,(H,28,32)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.60 Hunt 1 » 0
6.60 Hunt 1 » 0
8.60 Hunt 0 » -1
8.60 Hunt 0 » -1
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Charge States and Microspecies Visualization