Molecule ID: mol19417

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

InChI: InChI=1S/C27H30N4O4S/c1-3-4-5-8-16-36(33,34)31-18-14-15-23(24(17-18)35-2)30-25-19-10-6-7-13-22(19)29-26-20(25)11-9-12-21(26)27(28)32/h6-7,9-15,17,31H,3-5,8,16H2,1-2H3,(H2,28,32)(H,29,30)

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