Molecule ID: mol16137

SMILES: COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCN(C)CC1

InChI: InChI=1S/C23H27ClFN5O2/c1-29-7-9-30(10-8-29)6-3-11-32-22-14-20-17(13-21(22)31-2)23(27-15-26-20)28-19-5-4-16(24)12-18(19)25/h4-5,12-15H,3,6-11H2,1-2H3,(H,26,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization