Molecule ID: mol18203

SMILES: O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ncccn2)CC1

InChI: InChI=1S/C23H23FN4O2/c24-19-7-5-17(6-8-19)16-30-21-4-1-3-20(15-21)27-22(29)18-9-13-28(14-10-18)23-25-11-2-12-26-23/h1-8,11-12,15,18H,9-10,13-14,16H2,(H,27,29)

Experimental Macro pKa Values

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