Molecule ID: mol19400

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(OCCCC(N)=O)ccc12

InChI: InChI=1S/C25H26N4O5S/c1-33-23-14-16(29-35(2,31)32)9-12-21(23)28-25-18-6-3-4-7-20(18)27-22-15-17(10-11-19(22)25)34-13-5-8-24(26)30/h3-4,6-7,9-12,14-15,29H,5,8,13H2,1-2H3,(H2,26,30)(H,27,28)

Experimental Macro pKa Values

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