Molecule ID: mol21545

SMILES: C[C@H]1OCC[C@H]2Oc3ccc(-c4cccnc4F)cc3[C@@]3(COC(N)=N3)[C@H]12

InChI: InChI=1S/C20H20FN3O3/c1-11-17-16(6-8-25-11)27-15-5-4-12(13-3-2-7-23-18(13)21)9-14(15)20(17)10-26-19(22)24-20/h2-5,7,9,11,16-17H,6,8,10H2,1H3,(H2,22,24)/t11-,16-,17-,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