Molecule ID: mol20580

SMILES: O=C(NCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)cc1

InChI: InChI=1S/C20H21FN4O2/c21-16-7-5-15(6-8-16)20(26)22-9-10-24-11-13-25(14-12-24)19-17-3-1-2-4-18(17)27-23-19/h1-8H,9-14H2,(H,22,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization