Molecule ID: mol20401

SMILES: CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)ccc1OC

InChI: InChI=1S/C22H28N4O5S/c1-3-30-21-12-15(4-6-20(21)29-2)14-26-10-8-16(9-11-26)24-22-25-18-13-17(32(23,27)28)5-7-19(18)31-22/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,24,25)(H2,23,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization