Molecule ID: mol21544

SMILES: C[C@@]12COCC[C@H]1Oc1ccc(-c3cccnc3F)cc1[C@@]21COC(N)=N1

InChI: InChI=1S/C20H20FN3O3/c1-19-10-25-8-6-16(19)27-15-5-4-12(13-3-2-7-23-17(13)21)9-14(15)20(19)11-26-18(22)24-20/h2-5,7,9,16H,6,8,10-11H2,1H3,(H2,22,24)/t16-,19-,20+/m1/s1

Experimental Macro pKa Values

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