Molecule ID: mol21372

SMILES: Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(=N)NO)c2)n1

InChI: InChI=1S/C24H22N6O4S/c1-15-13-21(30(28-15)19-6-4-5-17(14-19)23(25)29-32)24(31)27-18-11-9-16(10-12-18)20-7-2-3-8-22(20)35(26,33)34/h2-14,32H,1H3,(H2,25,29)(H,27,31)(H2,26,33,34)

Experimental Macro pKa Values

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