Molecule ID: mol19418

SMILES: CCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)c(OC)c1

InChI: InChI=1S/C28H32N4O4S/c1-3-4-5-6-9-17-37(34,35)32-19-15-16-24(25(18-19)36-2)31-26-20-11-7-8-14-23(20)30-27-21(26)12-10-13-22(27)28(29)33/h7-8,10-16,18,32H,3-6,9,17H2,1-2H3,(H2,29,33)(H,30,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization