Molecule ID: mol18363

SMILES: O=C(NCC1CCOCC1)c1cnc(Nc2cccc(Cl)c2)cc1C(F)(F)F

InChI: InChI=1S/C19H19ClF3N3O2/c20-13-2-1-3-14(8-13)26-17-9-16(19(21,22)23)15(11-24-17)18(27)25-10-12-4-6-28-7-5-12/h1-3,8-9,11-12H,4-7,10H2,(H,24,26)(H,25,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.63 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization