Molecule ID: mol18041

SMILES: Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)csc12

InChI: InChI=1S/C16H14ClF2N5O3S2/c17-9-2-3-10(24-29(26,27)5-1-4-18)11(19)13(9)23-16(25)8-6-28-14-12(8)21-7-22-15(14)20/h2-3,6-7,24H,1,4-5H2,(H,23,25)(H2,20,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization