Molecule ID: mol32919

SMILES: O=C(NC[C@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

InChI: InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)/t11-/m1/s1

Experimental Macro pKa Values

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