Molecule ID: mol21610

SMILES: COc1ccc2ccc(S(=O)(=O)N(C)[C@H]3CCN(Cc4ccc5ncnc(N)c5c4)C3=O)cc2c1

InChI: InChI=1S/C25H25N5O4S/c1-29(35(32,33)20-7-5-17-4-6-19(34-2)12-18(17)13-20)23-9-10-30(25(23)31)14-16-3-8-22-21(11-16)24(26)28-15-27-22/h3-8,11-13,15,23H,9-10,14H2,1-2H3,(H2,26,27,28)/t23-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization