Molecule ID: mol20583

SMILES: O=C(NCCN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1

InChI: InChI=1S/C18H20ClFN4O/c19-15-3-6-17(22-13-15)24-11-9-23(10-12-24)8-7-21-18(25)14-1-4-16(20)5-2-14/h1-6,13H,7-12H2,(H,21,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization