Molecule ID: mol18368

SMILES: O=C(NCC1CCCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F

InChI: InChI=1S/C19H18Cl2F3N3O/c20-12-5-6-16(15(21)7-12)27-17-8-14(19(22,23)24)13(10-25-17)18(28)26-9-11-3-1-2-4-11/h5-8,10-11H,1-4,9H2,(H,25,27)(H,26,28)

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