Molecule ID: mol32225

SMILES: COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1

InChI: InChI=1S/C16H16ClF3N4O2/c1-8(9-3-4-9)24-7-11(17)22-14(15(24)25)21-10-5-6-12(26-2)23-13(10)16(18,19)20/h5-9H,3-4H2,1-2H3,(H,21,22)/t8-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.00 OCHEM 1 » 0
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Charge States and Microspecies Visualization