Molecule ID: mol18038

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F

InChI: InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)

Experimental Macro pKa Values

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