Molecule ID: mol20670

SMILES: C[C@@]1(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CCOC(N)=N1

InChI: InChI=1S/C17H15Cl2FN4O2/c1-17(4-5-26-16(21)24-17)11-7-10(2-3-13(11)20)23-15(25)14-12(19)6-9(18)8-22-14/h2-3,6-8H,4-5H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1

Experimental Macro pKa Values

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