Molecule ID: mol19376

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

InChI: InChI=1S/C26H28N4O3S/c1-3-4-7-16-34(32,33)30-20-12-10-19(11-13-20)28-26-22-8-5-6-9-24(22)29-25-17-21(27-18(2)31)14-15-23(25)26/h5-6,8-15,17,30H,3-4,7,16H2,1-2H3,(H,27,31)(H,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization