Molecule ID: mol18915

SMILES: COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@@H]5F)c4n3)cnc2c1

InChI: InChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1

Experimental Macro pKa Values

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