Molecule ID: mol19405

SMILES: CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)c(OC)c1

InChI: InChI=1S/C25H28N4O3S/c1-3-4-5-8-16-33(30,31)29-18-13-14-22(23(17-18)32-2)27-24-19-10-6-7-12-21(19)28-25-20(24)11-9-15-26-25/h6-7,9-15,17,29H,3-5,8,16H2,1-2H3,(H,26,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization