Molecule ID: mol18039

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2cccc3c(N)ncnc23)c1F

InChI: InChI=1S/C18H17F2N5O3S/c1-2-8-29(27,28)25-13-7-6-12(19)16(14(13)20)24-18(26)11-5-3-4-10-15(11)22-9-23-17(10)21/h3-7,9,25H,2,8H2,1H3,(H,24,26)(H2,21,22,23)

Experimental Macro pKa Values

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