Molecule ID: mol16128

SMILES: O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1

InChI: InChI=1S/C17H21F3N2O/c18-17(19,20)15-7-2-1-6-14(15)16(23)22(11-12-4-3-5-12)13-8-9-21-10-13/h1-2,6-7,12-13,21H,3-5,8-11H2/t13-/m0/s1

Experimental Macro pKa Values

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