Molecule ID: mol19283

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=NS(=O)(=O)c3ccccc3N2)cc1

InChI: InChI=1S/C30H27N5O2S/c1-4-27-33-28-19(2)17-20(3)31-30(28)35(27)18-21-13-15-22(16-14-21)23-9-5-6-10-24(23)29-32-25-11-7-8-12-26(25)38(36,37)34-29/h5-17H,4,18H2,1-3H3,(H,32,34)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization