Molecule ID: mol19281

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=NS(=O)(=O)c3cc(S(N)(=O)=O)c(Cl)cc3N2)cc1

InChI: InChI=1S/C30H27ClN6O4S2/c1-4-27-35-28-17(2)13-18(3)33-30(28)37(27)16-19-9-11-20(12-10-19)21-7-5-6-8-22(21)29-34-24-14-23(31)25(42(32,38)39)15-26(24)43(40,41)36-29/h5-15H,4,16H2,1-3H3,(H,34,36)(H2,32,38,39)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization