Molecule ID: mol19387

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

InChI: InChI=1S/C26H28N4O4S/c1-4-5-14-35(32,33)30-19-11-13-23(25(16-19)34-3)29-26-20-8-6-7-9-22(20)28-24-15-18(27-17(2)31)10-12-21(24)26/h6-13,15-16,30H,4-5,14H2,1-3H3,(H,27,31)(H,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization