Molecule ID: mol18592

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

InChI: InChI=1S/C24H25N3O2S/c1-2-3-8-17-30(28,29)27-19-15-13-18(14-16-19)25-24-20-9-4-6-11-22(20)26-23-12-7-5-10-21(23)24/h4-7,9-16,27H,2-3,8,17H2,1H3,(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization