Molecule ID: mol17404

SMILES: COCCN1CC(C(N)=O)(N(C)Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1

InChI: InChI=1S/C24H28ClFN6O3/c1-31(24(23(27)33)12-32(13-24)7-8-34-2)11-15-9-16-19(10-20(15)35-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H2,27,33)(H,28,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization