Molecule ID: mol20039

SMILES: Nc1cccc(Cn2c(-c3ccc(Oc4cccs4)cc3)ccc2-c2ccccc2Cl)n1

InChI: InChI=1S/C26H20ClN3OS/c27-22-7-2-1-6-21(22)24-15-14-23(30(24)17-19-5-3-8-25(28)29-19)18-10-12-20(13-11-18)31-26-9-4-16-32-26/h1-16H,17H2,(H2,28,29)

Experimental Macro pKa Values

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