Molecule ID: mol19388

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

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization