Molecule ID: mol21347

SMILES: COc1cc(NS(=O)(=O)OC)ccc1Nc1c2ccccc2nc2c(CCC(N)=O)cccc12

InChI: InChI=1S/C24H24N4O5S/c1-32-21-14-16(28-34(30,31)33-2)11-12-20(21)27-24-17-7-3-4-9-19(17)26-23-15(10-13-22(25)29)6-5-8-18(23)24/h3-9,11-12,14,28H,10,13H2,1-2H3,(H2,25,29)(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization