Molecule ID: mol18603

SMILES: CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C25H27N3O2S/c1-2-3-4-9-18-31(29,30)28-20-16-14-19(15-17-20)26-25-21-10-5-7-12-23(21)27-24-13-8-6-11-22(24)25/h5-8,10-17,28H,2-4,9,18H2,1H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization