Molecule ID: mol19406

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

InChI: InChI=1S/C26H30N4O3S/c1-3-4-5-6-9-17-34(31,32)30-19-14-15-23(24(18-19)33-2)28-25-20-11-7-8-13-22(20)29-26-21(25)12-10-16-27-26/h7-8,10-16,18,30H,3-6,9,17H2,1-2H3,(H,27,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization