Molecule ID: mol18623

SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(C(N)=O)cc23)cc1

InChI: InChI=1S/C21H18N4O3S/c1-29(27,28)25-15-9-7-14(8-10-15)23-20-16-4-2-3-5-18(16)24-19-11-6-13(21(22)26)12-17(19)20/h2-12,25H,1H3,(H2,22,26)(H,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.34 Baltruschat ChEMBL 1 » 0
6.34 Baltruschat ChEMBL 1 » 0
6.34 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization