Molecule ID: mol16904

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(-c3ccc(C(C)(C)C)cc3)ccc12

InChI: InChI=1S/C30H34FN3O/c1-30(2,3)24-9-6-21(7-10-24)22-8-12-26-27(14-17-34-28(26)19-22)33-16-5-15-32-20-23-18-25(31)11-13-29(23)35-4/h6-14,17-19,32H,5,15-16,20H2,1-4H3,(H,33,34)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization