Molecule ID: mol19404

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

InChI: InChI=1S/C24H26N4O3S/c1-3-4-7-15-32(29,30)28-17-12-13-21(22(16-17)31-2)26-23-18-9-5-6-11-20(18)27-24-19(23)10-8-14-25-24/h5-6,8-14,16,28H,3-4,7,15H2,1-2H3,(H,25,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization