Molecule ID: mol19402

SMILES: CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)c(OC)c1

InChI: InChI=1S/C22H22N4O3S/c1-3-13-30(27,28)26-15-10-11-19(20(14-15)29-2)24-21-16-7-4-5-9-18(16)25-22-17(21)8-6-12-23-22/h4-12,14,26H,3,13H2,1-2H3,(H,23,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.04 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization