Molecule ID: mol18289

SMILES: CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1

InChI: InChI=1S/C22H22N4O3S/c1-23-14-8-10-17-20(12-14)24-18-7-5-4-6-16(18)22(17)25-19-11-9-15(13-21(19)29-2)26-30(3,27)28/h4-13,23,26H,1-3H3,(H,24,25)

Experimental Macro pKa Values

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