Molecule ID: mol21223

SMILES: CCOC(=O)/C(=N\O)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1

InChI: InChI=1S/C21H22FNO4S/c1-2-27-21(24)20(23-25)15-3-5-18(6-4-15)28-19-12-16(11-17(22)13-19)14-7-9-26-10-8-14/h3-6,11-14,25H,2,7-10H2,1H3/b23-20-

Experimental Macro pKa Values

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