Molecule ID: mol18698

SMILES: NS(=O)(=O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C21H19N3O2S/c22-27(25,26)14-13-15-9-11-16(12-10-15)23-21-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)21/h1-12H,13-14H2,(H,23,24)(H2,22,25,26)

Experimental Macro pKa Values

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