Molecule ID: mol19401

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

InChI: InChI=1S/C21H20N4O3S/c1-3-29(26,27)25-14-10-11-18(19(13-14)28-2)23-20-15-7-4-5-9-17(15)24-21-16(20)8-6-12-22-21/h4-13,25H,3H2,1-2H3,(H,22,23,24)

Experimental Macro pKa Values

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