Molecule ID: mol21607

SMILES: COc1ccc2ccc(S(=O)(=O)NC3CCN(Cc4ccc5nc(N)ccc5c4)C3=O)cc2c1

InChI: InChI=1S/C25H24N4O4S/c1-33-20-6-3-17-4-7-21(14-19(17)13-20)34(31,32)28-23-10-11-29(25(23)30)15-16-2-8-22-18(12-16)5-9-24(26)27-22/h2-9,12-14,23,28H,10-11,15H2,1H3,(H2,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization