Molecule ID: mol19234

SMILES: CCn1c(-c2ccc(OC)cc2)cs/c1=N/c1ccc2oc(=O)ccc2c1

InChI: InChI=1S/C21H18N2O3S/c1-3-23-18(14-4-8-17(25-2)9-5-14)13-27-21(23)22-16-7-10-19-15(12-16)6-11-20(24)26-19/h4-13H,3H2,1-2H3/b22-21+

Experimental Macro pKa Values

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