Molecule ID: mol19416

SMILES: CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)c(OC)c1

InChI: InChI=1S/C26H28N4O4S/c1-3-4-7-15-35(32,33)30-17-13-14-22(23(16-17)34-2)29-24-18-9-5-6-12-21(18)28-25-19(24)10-8-11-20(25)26(27)31/h5-6,8-14,16,30H,3-4,7,15H2,1-2H3,(H2,27,31)(H,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization