Molecule ID: mol20578

SMILES: O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1

InChI: InChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization