Molecule ID: mol602

SMILES: CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1

InChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1

Experimental Macro pKa Values

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