Molecule ID: mol19377

SMILES: CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1

InChI: InChI=1S/C27H30N4O3S/c1-3-4-5-8-17-35(33,34)31-21-13-11-20(12-14-21)29-27-23-9-6-7-10-25(23)30-26-18-22(28-19(2)32)15-16-24(26)27/h6-7,9-16,18,31H,3-5,8,17H2,1-2H3,(H,28,32)(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization