Molecule ID: mol20666

SMILES: C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCOCC(N)=N1

InChI: InChI=1S/C18H18ClFN4O2/c1-18(6-7-26-10-16(21)24-18)13-8-12(3-4-14(13)20)23-17(25)15-5-2-11(19)9-22-15/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1

Experimental Macro pKa Values

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