Molecule ID: mol18077

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3[nH]nc(OC)c23)c1F

InChI: InChI=1S/C16H17F2N7O4S/c1-3-6-30(27,28)25-9-5-4-8(17)12(11(9)18)21-16(26)22-13-10-14(20-7-19-13)23-24-15(10)29-2/h4-5,7,25H,3,6H2,1-2H3,(H3,19,20,21,22,23,24,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.80 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization