Molecule ID: mol20181

SMILES: O=S(=O)(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccccc1

InChI: InChI=1S/C25H19N3O2S/c29-31(30,20-8-2-1-3-9-20)28-19-16-14-18(15-17-19)26-25-21-10-4-6-12-23(21)27-24-13-7-5-11-22(24)25/h1-17,28H,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization