Molecule ID: mol19390

SMILES: CCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)c(OC)c1

InChI: InChI=1S/C29H34N4O4S/c1-4-5-6-7-10-17-38(35,36)33-22-14-16-26(28(19-22)37-3)32-29-23-11-8-9-12-25(23)31-27-18-21(30-20(2)34)13-15-24(27)29/h8-9,11-16,18-19,33H,4-7,10,17H2,1-3H3,(H,30,34)(H,31,32)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.55 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization